lithium;acetic acid;N-(6-amino-2,3-difluorophenyl)-4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzamide;3,4-difluorobenzene-1,2-diamine;1-[4-(4,5-difluoro-1H-benzimidazol-2-yl)phenyl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-carboxamide;5-fluoropyridin-2-amine;4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzoic acid;1-(4-methoxycarbonylphenyl)cyclobutane-1-carboxylic acid;methyl 4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzoate;hydroxide

C107H98F11LiN16O16 — CID 157144629

IUPAClithium;acetic acid;N-(6-amino-2,3-difluorophenyl)-4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzamide;3,4-difluorobenzene-1,2-diamine;1-[4-(4,5-difluoro-1H-benzimidazol-2-yl)phenyl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-carboxamide;5-fluoropyridin-2-amine;4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzoic acid;1-(4-methoxycarbonylphenyl)cyclobutane-1-carboxylic acid;methyl 4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzoate;hydroxide
SMILESCC(=O)O.COC(=O)c1ccc(C2(C(=O)Nc3ccc(F)cn3)CCC2)cc1.COC(=O)c1ccc(C2(C(=O)O)CCC2)cc1.Nc1ccc(F)c(F)c1N.Nc1ccc(F)c(F)c1NC(=O)c1ccc(C2(C(=O)Nc3ccc(F)cn3)CCC2)cc1.Nc1ccc(F)cn1.O=C(Nc1ccc(F)cn1)C1(c2ccc(-c3nc4c(F)c(F)ccc4[nH]3)cc2)CCC1.O=C(O)c1ccc(C2(C(=O)Nc3ccc(F)cn3)CCC2)cc1.[Li+].[OH-]
InChIInChI=1S/C23H19F3N4O2.C23H17F3N4O.C18H17FN2O3.C17H15FN2O3.C13H14O4.C6H6F2N2.C5H5FN2.C2H4O2.Li.H2O/c24-15-6-9-18(28-12-15)29-22(32)23(10-1-11-23)14-4-2-13(3-5-14)21(31)30-20-17(27)8-7-16(25)19(20)26;24-15-6-9-18(27-12-15)29-22(31)23(10-1-11-23)14-4-2-13(3-5-14)21-28-17-8-7-16(25)19(26)20(17)30-21;1-24-16(22)12-3-5-13(6-4-12)18(9-2-10-18)17(23)21-15-8-7-14(19)11-20-15;18-13-6-7-14(19-10-13)20-16(23)17(8-1-9-17)12-4-2-11(3-5-12)15(21)22;1-17-11(14)9-3-5-10(6-4-9)13(12(15)16)7-2-8-13;7-3-1-2-4(9)6(10)5(3)8;6-4-1-2-5(7)8-3-4;1-2(3)4;;/h2-9,12H,1,10-11,27H2,(H,30,31)(H,28,29,32);2-9,12H,1,10-11H2,(H,28,30)(H,27,29,31);3-8,11H,2,9-10H2,1H3,(H,20,21,23);2-7,10H,1,8-9H2,(H,21,22)(H,19,20,23);3-6H,2,7-8H2,1H3,(H,15,16);1-2H,9-10H2;1-3H,(H2,7,8);1H3,(H,3,4);;1H2/q;;;;;;;;+1;/p-1
InChIKeyMZRBDOAYUSDOMQ-UHFFFAOYSA-M
MW2079.98 g/mol
LogP16.37
Rot. Bonds20

About lithium;acetic acid;N-(6-amino-2,3-difluorophenyl)-4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzamide;3,4-difluorobenzene-1,2-diamine;1-[4-(4,5-difluoro-1H-benzimidazol-2-yl)phenyl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-carboxamide;5-fluoropyridin-2-amine;4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzoic acid;1-(4-methoxycarbonylphenyl)cyclobutane-1-carboxylic acid;methyl 4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzoate;hydroxide

lithium;acetic acid;N-(6-amino-2,3-difluorophenyl)-4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzamide;3,4-difluorobenzene-1,2-diamine;1-[4-(4,5-difluoro-1H-benzimidazol-2-yl)phenyl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-carboxamide;5-fluoropyridin-2-amine;4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzoic acid;1-(4-methoxycarbonylphenyl)cyclobutane-1-carboxylic acid;methyl 4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzoate;hydroxide (PubChem CID 157144629) has the molecular formula C107H98F11LiN16O16 and a molecular weight of 2079.98 g/mol. Its IUPAC name is lithium;acetic acid;N-(6-amino-2,3-difluorophenyl)-4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzamide;3,4-difluorobenzene-1,2-diamine;1-[4-(4,5-difluoro-1H-benzimidazol-2-yl)phenyl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-carboxamide;5-fluoropyridin-2-amine;4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzoic acid;1-(4-methoxycarbonylphenyl)cyclobutane-1-carboxylic acid;methyl 4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzoate;hydroxide.

Molecular Properties

Compound Namelithium;acetic acid;N-(6-amino-2,3-difluorophenyl)-4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzamide;3,4-difluorobenzene-1,2-diamine;1-[4-(4,5-difluoro-1H-benzimidazol-2-yl)phenyl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-carboxamide;5-fluoropyridin-2-amine;4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzoic acid;1-(4-methoxycarbonylphenyl)cyclobutane-1-carboxylic acid;methyl 4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzoate;hydroxide
PubChem CID157144629
Molecular FormulaC107H98F11LiN16O16
Molecular Weight2079.98 g/mol
Exact Mass2078.73
IUPAC Namelithium;acetic acid;N-(6-amino-2,3-difluorophenyl)-4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzamide;3,4-difluorobenzene-1,2-diamine;1-[4-(4,5-difluoro-1H-benzimidazol-2-yl)phenyl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-carboxamide;5-fluoropyridin-2-amine;4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzoic acid;1-(4-methoxycarbonylphenyl)cyclobutane-1-carboxylic acid;methyl 4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzoate;hydroxide
SMILESCC(=O)O.COC(=O)c1ccc(C2(C(=O)Nc3ccc(F)cn3)CCC2)cc1.COC(=O)c1ccc(C2(C(=O)O)CCC2)cc1.Nc1ccc(F)c(F)c1N.Nc1ccc(F)c(F)c1NC(=O)c1ccc(C2(C(=O)Nc3ccc(F)cn3)CCC2)cc1.Nc1ccc(F)cn1.O=C(Nc1ccc(F)cn1)C1(c2ccc(-c3nc4c(F)c(F)ccc4[nH]3)cc2)CCC1.O=C(O)c1ccc(C2(C(=O)Nc3ccc(F)cn3)CCC2)cc1.[Li+].[OH-]
InChIInChI=1S/C23H19F3N4O2.C23H17F3N4O.C18H17FN2O3.C17H15FN2O3.C13H14O4.C6H6F2N2.C5H5FN2.C2H4O2.Li.H2O/c24-15-6-9-18(28-12-15)29-22(32)23(10-1-11-23)14-4-2-13(3-5-14)21(31)30-20-17(27)8-7-16(25)19(20)26;24-15-6-9-18(27-12-15)29-22(31)23(10-1-11-23)14-4-2-13(3-5-14)21-28-17-8-7-16(25)19(26)20(17)30-21;1-24-16(22)12-3-5-13(6-4-12)18(9-2-10-18)17(23)21-15-8-7-14(19)11-20-15;18-13-6-7-14(19-10-13)20-16(23)17(8-1-9-17)12-4-2-11(3-5-12)15(21)22;1-17-11(14)9-3-5-10(6-4-9)13(12(15)16)7-2-8-13;7-3-1-2-4(9)6(10)5(3)8;6-4-1-2-5(7)8-3-4;1-2(3)4;;/h2-9,12H,1,10-11,27H2,(H,30,31)(H,28,29,32);2-9,12H,1,10-11H2,(H,28,30)(H,27,29,31);3-8,11H,2,9-10H2,1H3,(H,20,21,23);2-7,10H,1,8-9H2,(H,21,22)(H,19,20,23);3-6H,2,7-8H2,1H3,(H,15,16);1-2H,9-10H2;1-3H,(H2,7,8);1H3,(H,3,4);;1H2/q;;;;;;;;+1;/p-1
InChIKeyMZRBDOAYUSDOMQ-UHFFFAOYSA-M
XLogP16.37
TPSA537.21 Ų
H-Bond Donors13
H-Bond Acceptors23
Rotatable Bonds20
Heavy Atoms151
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002079.98
LogP ≤ 516.37
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze lithium;acetic acid;N-(6-amino-2,3-difluorophenyl)-4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzamide;3,4-difluorobenzene-1,2-diamine;1-[4-(4,5-difluoro-1H-benzimidazol-2-yl)phenyl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-carboxamide;5-fluoropyridin-2-amine;4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzoic acid;1-(4-methoxycarbonylphenyl)cyclobutane-1-carboxylic acid;methyl 4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzoate;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;acetic acid;N-(6-amino-2,3-difluorophenyl)-4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzamide;3,4-difluorobenzene-1,2-diamine;1-[4-(4,5-difluoro-1H-benzimidazol-2-yl)phenyl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-carboxamide;5-fluoropyridin-2-amine;4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzoic acid;1-(4-methoxycarbonylphenyl)cyclobutane-1-carboxylic acid;methyl 4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzoate;hydroxide?
The IUPAC name of lithium;acetic acid;N-(6-amino-2,3-difluorophenyl)-4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzamide;3,4-difluorobenzene-1,2-diamine;1-[4-(4,5-difluoro-1H-benzimidazol-2-yl)phenyl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-carboxamide;5-fluoropyridin-2-amine;4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzoic acid;1-(4-methoxycarbonylphenyl)cyclobutane-1-carboxylic acid;methyl 4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzoate;hydroxide (CID 157144629) is lithium;acetic acid;N-(6-amino-2,3-difluorophenyl)-4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzamide;3,4-difluorobenzene-1,2-diamine;1-[4-(4,5-difluoro-1H-benzimidazol-2-yl)phenyl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-carboxamide;5-fluoropyridin-2-amine;4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzoic acid;1-(4-methoxycarbonylphenyl)cyclobutane-1-carboxylic acid;methyl 4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzoate;hydroxide.
What is the SMILES notation for lithium;acetic acid;N-(6-amino-2,3-difluorophenyl)-4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzamide;3,4-difluorobenzene-1,2-diamine;1-[4-(4,5-difluoro-1H-benzimidazol-2-yl)phenyl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-carboxamide;5-fluoropyridin-2-amine;4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzoic acid;1-(4-methoxycarbonylphenyl)cyclobutane-1-carboxylic acid;methyl 4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzoate;hydroxide?
The canonical SMILES for lithium;acetic acid;N-(6-amino-2,3-difluorophenyl)-4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzamide;3,4-difluorobenzene-1,2-diamine;1-[4-(4,5-difluoro-1H-benzimidazol-2-yl)phenyl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-carboxamide;5-fluoropyridin-2-amine;4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzoic acid;1-(4-methoxycarbonylphenyl)cyclobutane-1-carboxylic acid;methyl 4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzoate;hydroxide is CC(=O)O.COC(=O)c1ccc(C2(C(=O)Nc3ccc(F)cn3)CCC2)cc1.COC(=O)c1ccc(C2(C(=O)O)CCC2)cc1.Nc1ccc(F)c(F)c1N.Nc1ccc(F)c(F)c1NC(=O)c1ccc(C2(C(=O)Nc3ccc(F)cn3)CCC2)cc1.Nc1ccc(F)cn1.O=C(Nc1ccc(F)cn1)C1(c2ccc(-c3nc4c(F)c(F)ccc4[nH]3)cc2)CCC1.O=C(O)c1ccc(C2(C(=O)Nc3ccc(F)cn3)CCC2)cc1.[Li+].[OH-].
What is the InChIKey of lithium;acetic acid;N-(6-amino-2,3-difluorophenyl)-4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzamide;3,4-difluorobenzene-1,2-diamine;1-[4-(4,5-difluoro-1H-benzimidazol-2-yl)phenyl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-carboxamide;5-fluoropyridin-2-amine;4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzoic acid;1-(4-methoxycarbonylphenyl)cyclobutane-1-carboxylic acid;methyl 4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzoate;hydroxide?
The InChIKey is MZRBDOAYUSDOMQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H19F3N4O2.C23H17F3N4O.C18H17FN2O3.C17H15FN2O3.C13H14O4.C6H6F2N2.C5H5FN2.C2H4O2.Li.H2O/c24-15-6-9-18(28-12-15)29-22(32)23(10-1-11-23)14-4-2-13(3-5-14)21(31)30-20-17(27)8-7-16(25)19(20)26;24-15-6-9-18(27-12-15)29-22(31)23(10-1-11-23)14-4-2-13(3-5-14)21-28-17-8-7-16(25)19(26)20(17)30-21;1-24-16(22)12-3-5-13(6-4-12)18(9-2-10-18)17(23)21-15-8-7-14(19)11-20-15;18-13-6-7-14(19-10-13)20-16(23)17(8-1-9-17)12-4-2-11(3-5-12)15(21)22;1-17-11(14)9-3-5-10(6-4-9)13(12(15)16)7-2-8-13;7-3-1-2-4(9)6(10)5(3)8;6-4-1-2-5(7)8-3-4;1-2(3)4;;/h2-9,12H,1,10-11,27H2,(H,30,31)(H,28,29,32);2-9,12H,1,10-11H2,(H,28,30)(H,27,29,31);3-8,11H,2,9-10H2,1H3,(H,20,21,23);2-7,10H,1,8-9H2,(H,21,22)(H,19,20,23);3-6H,2,7-8H2,1H3,(H,15,16);1-2H,9-10H2;1-3H,(H2,7,8);1H3,(H,3,4);;1H2/q;;;;;;;;+1;/p-1.
What are the key properties of lithium;acetic acid;N-(6-amino-2,3-difluorophenyl)-4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzamide;3,4-difluorobenzene-1,2-diamine;1-[4-(4,5-difluoro-1H-benzimidazol-2-yl)phenyl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-carboxamide;5-fluoropyridin-2-amine;4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzoic acid;1-(4-methoxycarbonylphenyl)cyclobutane-1-carboxylic acid;methyl 4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzoate;hydroxide?
lithium;acetic acid;N-(6-amino-2,3-difluorophenyl)-4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzamide;3,4-difluorobenzene-1,2-diamine;1-[4-(4,5-difluoro-1H-benzimidazol-2-yl)phenyl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-carboxamide;5-fluoropyridin-2-amine;4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzoic acid;1-(4-methoxycarbonylphenyl)cyclobutane-1-carboxylic acid;methyl 4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzoate;hydroxide has a molecular weight of 2079.98 g/mol, XLogP of 16.37, 20 rotatable bonds, 13 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;acetic acid;N-(6-amino-2,3-difluorophenyl)-4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzamide;3,4-difluorobenzene-1,2-diamine;1-[4-(4,5-difluoro-1H-benzimidazol-2-yl)phenyl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-carboxamide;5-fluoropyridin-2-amine;4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzoic acid;1-(4-methoxycarbonylphenyl)cyclobutane-1-carboxylic acid;methyl 4-[1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutyl]benzoate;hydroxide is sourced from PubChem (CID 157144629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).