1-[3-chloro-4-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[(7-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(5-fluoro-1-methyl-2,3-dihydroindol-3-yl)-2-oxoethyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-6-fluoro-2,3-dihydroindole-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]isoquinoline-1-carboxamide;N-[2-chloro-6-(3-methyl-2-oxobutyl)-3-pyridinyl]isoquinoline-1-carboxamide

C164H161Cl8F4N13O16 — CID 159192998

IUPAC1-[3-chloro-4-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[(7-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(5-fluoro-1-methyl-2,3-dihydroindol-3-yl)-2-oxoethyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-6-fluoro-2,3-dihydroindole-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]isoquinoline-1-carboxamide;N-[2-chloro-6-(3-methyl-2-oxobutyl)-3-pyridinyl]isoquinoline-1-carboxamide
SMILESCC(C)C(=O)Cc1ccc(C(=O)CC2CN(C)c3ccccc32)c(Cl)c1.CC(C)C(=O)Cc1ccc(CC(=O)C2CN(C)c3ccc(F)cc32)c(Cl)c1.CC(C)C(=O)Cc1ccc(Cc2nc3cc(F)ccc3o2)c(Cl)c1.CC(C)C(=O)Cc1ccc(Cc2nc3cccc(F)c3o2)c(Cl)c1.CC(C)C(=O)Cc1ccc(NC(=O)N2CCCc3ccccc32)c(Cl)c1.CC(C)C(=O)Cc1ccc(NC(=O)N2CCc3ccc(F)cc32)c(Cl)c1.CC(C)C(=O)Cc1ccc(NC(=O)c2nccc3ccccc23)c(Cl)c1.CC(C)C(=O)Cc1ccc(NC(=O)c2nccc3ccccc23)c(Cl)n1
InChIInChI=1S/C22H23ClFNO2.C22H24ClNO2.C21H23ClN2O2.C21H19ClN2O2.C20H20ClFN2O2.C20H18ClN3O2.2C19H17ClFNO2/c1-13(2)21(26)9-14-4-5-15(19(23)8-14)10-22(27)18-12-25(3)20-7-6-16(24)11-17(18)20;1-14(2)21(25)11-15-8-9-18(19(23)10-15)22(26)12-16-13-24(3)20-7-5-4-6-17(16)20;1-14(2)20(25)13-15-9-10-18(17(22)12-15)23-21(26)24-11-5-7-16-6-3-4-8-19(16)24;1-13(2)19(25)12-14-7-8-18(17(22)11-14)24-21(26)20-16-6-4-3-5-15(16)9-10-23-20;1-12(2)19(25)10-13-3-6-17(16(21)9-13)23-20(26)24-8-7-14-4-5-15(22)11-18(14)24;1-12(2)17(25)11-14-7-8-16(19(21)23-14)24-20(26)18-15-6-4-3-5-13(15)9-10-22-18;1-11(2)17(23)8-12-3-4-13(15(20)7-12)9-19-22-16-10-14(21)5-6-18(16)24-19;1-11(2)17(23)9-12-6-7-13(14(20)8-12)10-18-22-16-5-3-4-15(21)19(16)24-18/h4-8,11,13,18H,9-10,12H2,1-3H3;4-10,14,16H,11-13H2,1-3H3;3-4,6,8-10,12,14H,5,7,11,13H2,1-2H3,(H,23,26);3-11,13H,12H2,1-2H3,(H,24,26);3-6,9,11-12H,7-8,10H2,1-2H3,(H,23,26);3-10,12H,11H2,1-2H3,(H,24,26);3-7,10-11H,8-9H2,1-2H3;3-8,11H,9-10H2,1-2H3
InChIKeyKOIBNXXAXMEKDD-UHFFFAOYSA-N
MW2929.78 g/mol
LogP38.61
Rot. Bonds40

About 1-[3-chloro-4-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[(7-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(5-fluoro-1-methyl-2,3-dihydroindol-3-yl)-2-oxoethyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-6-fluoro-2,3-dihydroindole-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]isoquinoline-1-carboxamide;N-[2-chloro-6-(3-methyl-2-oxobutyl)-3-pyridinyl]isoquinoline-1-carboxamide

1-[3-chloro-4-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[(7-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(5-fluoro-1-methyl-2,3-dihydroindol-3-yl)-2-oxoethyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-6-fluoro-2,3-dihydroindole-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]isoquinoline-1-carboxamide;N-[2-chloro-6-(3-methyl-2-oxobutyl)-3-pyridinyl]isoquinoline-1-carboxamide (PubChem CID 159192998) has the molecular formula C164H161Cl8F4N13O16 and a molecular weight of 2929.78 g/mol. Its IUPAC name is 1-[3-chloro-4-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[(7-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(5-fluoro-1-methyl-2,3-dihydroindol-3-yl)-2-oxoethyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-6-fluoro-2,3-dihydroindole-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]isoquinoline-1-carboxamide;N-[2-chloro-6-(3-methyl-2-oxobutyl)-3-pyridinyl]isoquinoline-1-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-4-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[(7-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(5-fluoro-1-methyl-2,3-dihydroindol-3-yl)-2-oxoethyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-6-fluoro-2,3-dihydroindole-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]isoquinoline-1-carboxamide;N-[2-chloro-6-(3-methyl-2-oxobutyl)-3-pyridinyl]isoquinoline-1-carboxamide
PubChem CID159192998
Molecular FormulaC164H161Cl8F4N13O16
Molecular Weight2929.78 g/mol
Exact Mass2923.96
IUPAC Name1-[3-chloro-4-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[(7-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(5-fluoro-1-methyl-2,3-dihydroindol-3-yl)-2-oxoethyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-6-fluoro-2,3-dihydroindole-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]isoquinoline-1-carboxamide;N-[2-chloro-6-(3-methyl-2-oxobutyl)-3-pyridinyl]isoquinoline-1-carboxamide
SMILESCC(C)C(=O)Cc1ccc(C(=O)CC2CN(C)c3ccccc32)c(Cl)c1.CC(C)C(=O)Cc1ccc(CC(=O)C2CN(C)c3ccc(F)cc32)c(Cl)c1.CC(C)C(=O)Cc1ccc(Cc2nc3cc(F)ccc3o2)c(Cl)c1.CC(C)C(=O)Cc1ccc(Cc2nc3cccc(F)c3o2)c(Cl)c1.CC(C)C(=O)Cc1ccc(NC(=O)N2CCCc3ccccc32)c(Cl)c1.CC(C)C(=O)Cc1ccc(NC(=O)N2CCc3ccc(F)cc32)c(Cl)c1.CC(C)C(=O)Cc1ccc(NC(=O)c2nccc3ccccc23)c(Cl)c1.CC(C)C(=O)Cc1ccc(NC(=O)c2nccc3ccccc23)c(Cl)n1
InChIInChI=1S/C22H23ClFNO2.C22H24ClNO2.C21H23ClN2O2.C21H19ClN2O2.C20H20ClFN2O2.C20H18ClN3O2.2C19H17ClFNO2/c1-13(2)21(26)9-14-4-5-15(19(23)8-14)10-22(27)18-12-25(3)20-7-6-16(24)11-17(18)20;1-14(2)21(25)11-15-8-9-18(19(23)10-15)22(26)12-16-13-24(3)20-7-5-4-6-17(16)20;1-14(2)20(25)13-15-9-10-18(17(22)12-15)23-21(26)24-11-5-7-16-6-3-4-8-19(16)24;1-13(2)19(25)12-14-7-8-18(17(22)11-14)24-21(26)20-16-6-4-3-5-15(16)9-10-23-20;1-12(2)19(25)10-13-3-6-17(16(21)9-13)23-20(26)24-8-7-14-4-5-15(22)11-18(14)24;1-12(2)17(25)11-14-7-8-16(19(21)23-14)24-20(26)18-15-6-4-3-5-13(15)9-10-22-18;1-11(2)17(23)8-12-3-4-13(15(20)7-12)9-19-22-16-10-14(21)5-6-18(16)24-19;1-11(2)17(23)9-12-6-7-13(14(20)8-12)10-18-22-16-5-3-4-15(21)19(16)24-18/h4-8,11,13,18H,9-10,12H2,1-3H3;4-10,14,16H,11-13H2,1-3H3;3-4,6,8-10,12,14H,5,7,11,13H2,1-2H3,(H,23,26);3-11,13H,12H2,1-2H3,(H,24,26);3-6,9,11-12H,7-8,10H2,1-2H3,(H,23,26);3-10,12H,11H2,1-2H3,(H,24,26);3-7,10-11H,8-9H2,1-2H3;3-8,11H,9-10H2,1-2H3
InChIKeyKOIBNXXAXMEKDD-UHFFFAOYSA-N
XLogP38.61
TPSA390.79 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds40
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002929.78
LogP ≤ 538.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[3-chloro-4-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[(7-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(5-fluoro-1-methyl-2,3-dihydroindol-3-yl)-2-oxoethyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-6-fluoro-2,3-dihydroindole-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]isoquinoline-1-carboxamide;N-[2-chloro-6-(3-methyl-2-oxobutyl)-3-pyridinyl]isoquinoline-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[(7-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(5-fluoro-1-methyl-2,3-dihydroindol-3-yl)-2-oxoethyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-6-fluoro-2,3-dihydroindole-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]isoquinoline-1-carboxamide;N-[2-chloro-6-(3-methyl-2-oxobutyl)-3-pyridinyl]isoquinoline-1-carboxamide?
The IUPAC name of 1-[3-chloro-4-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[(7-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(5-fluoro-1-methyl-2,3-dihydroindol-3-yl)-2-oxoethyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-6-fluoro-2,3-dihydroindole-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]isoquinoline-1-carboxamide;N-[2-chloro-6-(3-methyl-2-oxobutyl)-3-pyridinyl]isoquinoline-1-carboxamide (CID 159192998) is 1-[3-chloro-4-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[(7-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(5-fluoro-1-methyl-2,3-dihydroindol-3-yl)-2-oxoethyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-6-fluoro-2,3-dihydroindole-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]isoquinoline-1-carboxamide;N-[2-chloro-6-(3-methyl-2-oxobutyl)-3-pyridinyl]isoquinoline-1-carboxamide.
What is the SMILES notation for 1-[3-chloro-4-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[(7-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(5-fluoro-1-methyl-2,3-dihydroindol-3-yl)-2-oxoethyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-6-fluoro-2,3-dihydroindole-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]isoquinoline-1-carboxamide;N-[2-chloro-6-(3-methyl-2-oxobutyl)-3-pyridinyl]isoquinoline-1-carboxamide?
The canonical SMILES for 1-[3-chloro-4-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[(7-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(5-fluoro-1-methyl-2,3-dihydroindol-3-yl)-2-oxoethyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-6-fluoro-2,3-dihydroindole-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]isoquinoline-1-carboxamide;N-[2-chloro-6-(3-methyl-2-oxobutyl)-3-pyridinyl]isoquinoline-1-carboxamide is CC(C)C(=O)Cc1ccc(C(=O)CC2CN(C)c3ccccc32)c(Cl)c1.CC(C)C(=O)Cc1ccc(CC(=O)C2CN(C)c3ccc(F)cc32)c(Cl)c1.CC(C)C(=O)Cc1ccc(Cc2nc3cc(F)ccc3o2)c(Cl)c1.CC(C)C(=O)Cc1ccc(Cc2nc3cccc(F)c3o2)c(Cl)c1.CC(C)C(=O)Cc1ccc(NC(=O)N2CCCc3ccccc32)c(Cl)c1.CC(C)C(=O)Cc1ccc(NC(=O)N2CCc3ccc(F)cc32)c(Cl)c1.CC(C)C(=O)Cc1ccc(NC(=O)c2nccc3ccccc23)c(Cl)c1.CC(C)C(=O)Cc1ccc(NC(=O)c2nccc3ccccc23)c(Cl)n1.
What is the InChIKey of 1-[3-chloro-4-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[(7-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(5-fluoro-1-methyl-2,3-dihydroindol-3-yl)-2-oxoethyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-6-fluoro-2,3-dihydroindole-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]isoquinoline-1-carboxamide;N-[2-chloro-6-(3-methyl-2-oxobutyl)-3-pyridinyl]isoquinoline-1-carboxamide?
The InChIKey is KOIBNXXAXMEKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFNO2.C22H24ClNO2.C21H23ClN2O2.C21H19ClN2O2.C20H20ClFN2O2.C20H18ClN3O2.2C19H17ClFNO2/c1-13(2)21(26)9-14-4-5-15(19(23)8-14)10-22(27)18-12-25(3)20-7-6-16(24)11-17(18)20;1-14(2)21(25)11-15-8-9-18(19(23)10-15)22(26)12-16-13-24(3)20-7-5-4-6-17(16)20;1-14(2)20(25)13-15-9-10-18(17(22)12-15)23-21(26)24-11-5-7-16-6-3-4-8-19(16)24;1-13(2)19(25)12-14-7-8-18(17(22)11-14)24-21(26)20-16-6-4-3-5-15(16)9-10-23-20;1-12(2)19(25)10-13-3-6-17(16(21)9-13)23-20(26)24-8-7-14-4-5-15(22)11-18(14)24;1-12(2)17(25)11-14-7-8-16(19(21)23-14)24-20(26)18-15-6-4-3-5-13(15)9-10-22-18;1-11(2)17(23)8-12-3-4-13(15(20)7-12)9-19-22-16-10-14(21)5-6-18(16)24-19;1-11(2)17(23)9-12-6-7-13(14(20)8-12)10-18-22-16-5-3-4-15(21)19(16)24-18/h4-8,11,13,18H,9-10,12H2,1-3H3;4-10,14,16H,11-13H2,1-3H3;3-4,6,8-10,12,14H,5,7,11,13H2,1-2H3,(H,23,26);3-11,13H,12H2,1-2H3,(H,24,26);3-6,9,11-12H,7-8,10H2,1-2H3,(H,23,26);3-10,12H,11H2,1-2H3,(H,24,26);3-7,10-11H,8-9H2,1-2H3;3-8,11H,9-10H2,1-2H3.
What are the key properties of 1-[3-chloro-4-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[(7-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(5-fluoro-1-methyl-2,3-dihydroindol-3-yl)-2-oxoethyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-6-fluoro-2,3-dihydroindole-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]isoquinoline-1-carboxamide;N-[2-chloro-6-(3-methyl-2-oxobutyl)-3-pyridinyl]isoquinoline-1-carboxamide?
1-[3-chloro-4-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[(7-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(5-fluoro-1-methyl-2,3-dihydroindol-3-yl)-2-oxoethyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-6-fluoro-2,3-dihydroindole-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]isoquinoline-1-carboxamide;N-[2-chloro-6-(3-methyl-2-oxobutyl)-3-pyridinyl]isoquinoline-1-carboxamide has a molecular weight of 2929.78 g/mol, XLogP of 38.61, 40 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[(7-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(5-fluoro-1-methyl-2,3-dihydroindol-3-yl)-2-oxoethyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-6-fluoro-2,3-dihydroindole-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]isoquinoline-1-carboxamide;N-[2-chloro-6-(3-methyl-2-oxobutyl)-3-pyridinyl]isoquinoline-1-carboxamide is sourced from PubChem (CID 159192998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).