N-(2-acetyl-6-fluorophenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;1-(2-amino-3-fluoro-5-iodophenyl)ethanone;2-amino-3-fluoro-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluorophenyl)ethanone;5-(2-chloro-8-fluoro-6-iodo-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one;8-[8-fluoro-6-iodo-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;3-fluoro-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide

C150H149ClF17I3N28O22 — CID 158499795

IUPACN-(2-acetyl-6-fluorophenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;1-(2-amino-3-fluoro-5-iodophenyl)ethanone;2-amino-3-fluoro-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluorophenyl)ethanone;5-(2-chloro-8-fluoro-6-iodo-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one;8-[8-fluoro-6-iodo-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;3-fluoro-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESCC(=O)c1cc(I)cc(F)c1N.CC(=O)c1cccc(F)c1N.CC(=O)c1cccc(F)c1NC(=O)C(F)(F)F.CON(C)C(=O)c1cccc(F)c1N.CON(C)C(=O)c1cccc(F)c1NC(=O)C(F)(F)F.Cc1cc(F)c2nc(N3CCC(=O)CC3)c(-c3nc(C)no3)c(C)c2c1.Cc1cc(F)c2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)c(C)c2c1.Cc1cc(F)c2nc(N3CCC4(CC3)OCCO4)c(-c3nc(C)no3)c(C)c2c1.Cc1noc(-c2c(Cl)nc3c(F)cc(I)cc3c2C)n1.Cc1noc(-c2c(N3CCC4(CC3)OCCO4)nc3c(F)cc(I)cc3c2C)n1.Nc1c(F)cccc1C(=O)O
InChIInChI=1S/C24H30FN5O2.C21H23FN4O3.C20H20FIN4O3.C19H19FN4O2.C13H8ClFIN3O.C11H10F4N2O3.C10H7F4NO2.C9H11FN2O2.C8H7FINO.C8H8FNO.C7H6FNO2/c1-14-12-19-15(2)21(24-26-16(3)29-32-24)23(28-22(19)20(25)13-14)30-8-4-17(5-9-30)27-18-6-10-31-11-7-18;1-12-10-15-13(2)17(20-23-14(3)25-29-20)19(24-18(15)16(22)11-12)26-6-4-21(5-7-26)27-8-9-28-21;1-11-14-9-13(22)10-15(21)17(14)24-18(16(11)19-23-12(2)25-29-19)26-5-3-20(4-6-26)27-7-8-28-20;1-10-8-14-11(2)16(19-21-12(3)23-26-19)18(22-17(14)15(20)9-10)24-6-4-13(25)5-7-24;1-5-8-3-7(16)4-9(15)11(8)18-12(14)10(5)13-17-6(2)19-20-13;1-17(20-2)9(18)6-4-3-5-7(12)8(6)16-10(19)11(13,14)15;1-5(16)6-3-2-4-7(11)8(6)15-9(17)10(12,13)14;1-12(14-2)9(13)6-4-3-5-7(10)8(6)11;1-4(12)6-2-5(10)3-7(9)8(6)11;1-5(11)6-3-2-4-7(9)8(6)10;8-5-3-1-2-4(6(5)9)7(10)11/h12-13,17-18,27H,4-11H2,1-3H3;10-11H,4-9H2,1-3H3;9-10H,3-8H2,1-2H3;8-9H,4-7H2,1-3H3;3-4H,1-2H3;3-5H,1-2H3,(H,16,19);2-4H,1H3,(H,15,17);3-5H,11H2,1-2H3;2-3H,11H2,1H3;2-4H,10H2,1H3;1-3H,9H2,(H,10,11)
InChIKeyHJTBZXNWGKZYBN-UHFFFAOYSA-N
MW3435.15 g/mol
LogP30.05
Rot. Bonds21

About N-(2-acetyl-6-fluorophenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;1-(2-amino-3-fluoro-5-iodophenyl)ethanone;2-amino-3-fluoro-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluorophenyl)ethanone;5-(2-chloro-8-fluoro-6-iodo-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one;8-[8-fluoro-6-iodo-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;3-fluoro-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide

N-(2-acetyl-6-fluorophenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;1-(2-amino-3-fluoro-5-iodophenyl)ethanone;2-amino-3-fluoro-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluorophenyl)ethanone;5-(2-chloro-8-fluoro-6-iodo-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one;8-[8-fluoro-6-iodo-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;3-fluoro-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide (PubChem CID 158499795) has the molecular formula C150H149ClF17I3N28O22 and a molecular weight of 3435.15 g/mol. Its IUPAC name is N-(2-acetyl-6-fluorophenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;1-(2-amino-3-fluoro-5-iodophenyl)ethanone;2-amino-3-fluoro-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluorophenyl)ethanone;5-(2-chloro-8-fluoro-6-iodo-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one;8-[8-fluoro-6-iodo-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;3-fluoro-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide.

Molecular Properties

Compound NameN-(2-acetyl-6-fluorophenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;1-(2-amino-3-fluoro-5-iodophenyl)ethanone;2-amino-3-fluoro-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluorophenyl)ethanone;5-(2-chloro-8-fluoro-6-iodo-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one;8-[8-fluoro-6-iodo-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;3-fluoro-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
PubChem CID158499795
Molecular FormulaC150H149ClF17I3N28O22
Molecular Weight3435.15 g/mol
Exact Mass3432.80
IUPAC NameN-(2-acetyl-6-fluorophenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;1-(2-amino-3-fluoro-5-iodophenyl)ethanone;2-amino-3-fluoro-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluorophenyl)ethanone;5-(2-chloro-8-fluoro-6-iodo-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one;8-[8-fluoro-6-iodo-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;3-fluoro-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESCC(=O)c1cc(I)cc(F)c1N.CC(=O)c1cccc(F)c1N.CC(=O)c1cccc(F)c1NC(=O)C(F)(F)F.CON(C)C(=O)c1cccc(F)c1N.CON(C)C(=O)c1cccc(F)c1NC(=O)C(F)(F)F.Cc1cc(F)c2nc(N3CCC(=O)CC3)c(-c3nc(C)no3)c(C)c2c1.Cc1cc(F)c2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)c(C)c2c1.Cc1cc(F)c2nc(N3CCC4(CC3)OCCO4)c(-c3nc(C)no3)c(C)c2c1.Cc1noc(-c2c(Cl)nc3c(F)cc(I)cc3c2C)n1.Cc1noc(-c2c(N3CCC4(CC3)OCCO4)nc3c(F)cc(I)cc3c2C)n1.Nc1c(F)cccc1C(=O)O
InChIInChI=1S/C24H30FN5O2.C21H23FN4O3.C20H20FIN4O3.C19H19FN4O2.C13H8ClFIN3O.C11H10F4N2O3.C10H7F4NO2.C9H11FN2O2.C8H7FINO.C8H8FNO.C7H6FNO2/c1-14-12-19-15(2)21(24-26-16(3)29-32-24)23(28-22(19)20(25)13-14)30-8-4-17(5-9-30)27-18-6-10-31-11-7-18;1-12-10-15-13(2)17(20-23-14(3)25-29-20)19(24-18(15)16(22)11-12)26-6-4-21(5-7-26)27-8-9-28-21;1-11-14-9-13(22)10-15(21)17(14)24-18(16(11)19-23-12(2)25-29-19)26-5-3-20(4-6-26)27-7-8-28-20;1-10-8-14-11(2)16(19-21-12(3)23-26-19)18(22-17(14)15(20)9-10)24-6-4-13(25)5-7-24;1-5-8-3-7(16)4-9(15)11(8)18-12(14)10(5)13-17-6(2)19-20-13;1-17(20-2)9(18)6-4-3-5-7(12)8(6)16-10(19)11(13,14)15;1-5(16)6-3-2-4-7(11)8(6)15-9(17)10(12,13)14;1-12(14-2)9(13)6-4-3-5-7(10)8(6)11;1-4(12)6-2-5(10)3-7(9)8(6)11;1-5(11)6-3-2-4-7(9)8(6)10;8-5-3-1-2-4(6(5)9)7(10)11/h12-13,17-18,27H,4-11H2,1-3H3;10-11H,4-9H2,1-3H3;9-10H,3-8H2,1-2H3;8-9H,4-7H2,1-3H3;3-4H,1-2H3;3-5H,1-2H3,(H,16,19);2-4H,1H3,(H,15,17);3-5H,11H2,1-2H3;2-3H,11H2,1H3;2-4H,10H2,1H3;1-3H,9H2,(H,10,11)
InChIKeyHJTBZXNWGKZYBN-UHFFFAOYSA-N
XLogP30.05
TPSA657.13 Ų
H-Bond Donors8
H-Bond Acceptors45
Rotatable Bonds21
Heavy Atoms221
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003435.15
LogP ≤ 530.05
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-acetyl-6-fluorophenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;1-(2-amino-3-fluoro-5-iodophenyl)ethanone;2-amino-3-fluoro-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluorophenyl)ethanone;5-(2-chloro-8-fluoro-6-iodo-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one;8-[8-fluoro-6-iodo-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;3-fluoro-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-6-fluorophenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;1-(2-amino-3-fluoro-5-iodophenyl)ethanone;2-amino-3-fluoro-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluorophenyl)ethanone;5-(2-chloro-8-fluoro-6-iodo-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one;8-[8-fluoro-6-iodo-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;3-fluoro-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
The IUPAC name of N-(2-acetyl-6-fluorophenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;1-(2-amino-3-fluoro-5-iodophenyl)ethanone;2-amino-3-fluoro-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluorophenyl)ethanone;5-(2-chloro-8-fluoro-6-iodo-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one;8-[8-fluoro-6-iodo-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;3-fluoro-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide (CID 158499795) is N-(2-acetyl-6-fluorophenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;1-(2-amino-3-fluoro-5-iodophenyl)ethanone;2-amino-3-fluoro-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluorophenyl)ethanone;5-(2-chloro-8-fluoro-6-iodo-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one;8-[8-fluoro-6-iodo-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;3-fluoro-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide.
What is the SMILES notation for N-(2-acetyl-6-fluorophenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;1-(2-amino-3-fluoro-5-iodophenyl)ethanone;2-amino-3-fluoro-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluorophenyl)ethanone;5-(2-chloro-8-fluoro-6-iodo-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one;8-[8-fluoro-6-iodo-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;3-fluoro-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
The canonical SMILES for N-(2-acetyl-6-fluorophenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;1-(2-amino-3-fluoro-5-iodophenyl)ethanone;2-amino-3-fluoro-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluorophenyl)ethanone;5-(2-chloro-8-fluoro-6-iodo-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one;8-[8-fluoro-6-iodo-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;3-fluoro-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide is CC(=O)c1cc(I)cc(F)c1N.CC(=O)c1cccc(F)c1N.CC(=O)c1cccc(F)c1NC(=O)C(F)(F)F.CON(C)C(=O)c1cccc(F)c1N.CON(C)C(=O)c1cccc(F)c1NC(=O)C(F)(F)F.Cc1cc(F)c2nc(N3CCC(=O)CC3)c(-c3nc(C)no3)c(C)c2c1.Cc1cc(F)c2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)c(C)c2c1.Cc1cc(F)c2nc(N3CCC4(CC3)OCCO4)c(-c3nc(C)no3)c(C)c2c1.Cc1noc(-c2c(Cl)nc3c(F)cc(I)cc3c2C)n1.Cc1noc(-c2c(N3CCC4(CC3)OCCO4)nc3c(F)cc(I)cc3c2C)n1.Nc1c(F)cccc1C(=O)O.
What is the InChIKey of N-(2-acetyl-6-fluorophenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;1-(2-amino-3-fluoro-5-iodophenyl)ethanone;2-amino-3-fluoro-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluorophenyl)ethanone;5-(2-chloro-8-fluoro-6-iodo-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one;8-[8-fluoro-6-iodo-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;3-fluoro-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
The InChIKey is HJTBZXNWGKZYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O2.C21H23FN4O3.C20H20FIN4O3.C19H19FN4O2.C13H8ClFIN3O.C11H10F4N2O3.C10H7F4NO2.C9H11FN2O2.C8H7FINO.C8H8FNO.C7H6FNO2/c1-14-12-19-15(2)21(24-26-16(3)29-32-24)23(28-22(19)20(25)13-14)30-8-4-17(5-9-30)27-18-6-10-31-11-7-18;1-12-10-15-13(2)17(20-23-14(3)25-29-20)19(24-18(15)16(22)11-12)26-6-4-21(5-7-26)27-8-9-28-21;1-11-14-9-13(22)10-15(21)17(14)24-18(16(11)19-23-12(2)25-29-19)26-5-3-20(4-6-26)27-7-8-28-20;1-10-8-14-11(2)16(19-21-12(3)23-26-19)18(22-17(14)15(20)9-10)24-6-4-13(25)5-7-24;1-5-8-3-7(16)4-9(15)11(8)18-12(14)10(5)13-17-6(2)19-20-13;1-17(20-2)9(18)6-4-3-5-7(12)8(6)16-10(19)11(13,14)15;1-5(16)6-3-2-4-7(11)8(6)15-9(17)10(12,13)14;1-12(14-2)9(13)6-4-3-5-7(10)8(6)11;1-4(12)6-2-5(10)3-7(9)8(6)11;1-5(11)6-3-2-4-7(9)8(6)10;8-5-3-1-2-4(6(5)9)7(10)11/h12-13,17-18,27H,4-11H2,1-3H3;10-11H,4-9H2,1-3H3;9-10H,3-8H2,1-2H3;8-9H,4-7H2,1-3H3;3-4H,1-2H3;3-5H,1-2H3,(H,16,19);2-4H,1H3,(H,15,17);3-5H,11H2,1-2H3;2-3H,11H2,1H3;2-4H,10H2,1H3;1-3H,9H2,(H,10,11).
What are the key properties of N-(2-acetyl-6-fluorophenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;1-(2-amino-3-fluoro-5-iodophenyl)ethanone;2-amino-3-fluoro-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluorophenyl)ethanone;5-(2-chloro-8-fluoro-6-iodo-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one;8-[8-fluoro-6-iodo-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;3-fluoro-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
N-(2-acetyl-6-fluorophenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;1-(2-amino-3-fluoro-5-iodophenyl)ethanone;2-amino-3-fluoro-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluorophenyl)ethanone;5-(2-chloro-8-fluoro-6-iodo-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one;8-[8-fluoro-6-iodo-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;3-fluoro-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide has a molecular weight of 3435.15 g/mol, XLogP of 30.05, 21 rotatable bonds, 8 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-6-fluorophenyl)-2,2,2-trifluoroacetamide;2-amino-3-fluorobenzoic acid;1-(2-amino-3-fluoro-5-iodophenyl)ethanone;2-amino-3-fluoro-N-methoxy-N-methylbenzamide;1-(2-amino-3-fluorophenyl)ethanone;5-(2-chloro-8-fluoro-6-iodo-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;8-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;1-[8-fluoro-4,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one;8-[8-fluoro-6-iodo-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;3-fluoro-N-methoxy-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide is sourced from PubChem (CID 158499795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).