4-acetamido-N-(2-aminophenyl)benzamide;8,9-dioxo-N-pyridin-3-ylundecanamide;2-ethylbutanoic acid;4-phenylbutanoic acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;9,9,9-trifluoro-8-oxo-N-pyridin-3-ylnonanamide

C82H98F3N11O14 — CID 157214494

IUPAC4-acetamido-N-(2-aminophenyl)benzamide;8,9-dioxo-N-pyridin-3-ylundecanamide;2-ethylbutanoic acid;4-phenylbutanoic acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;9,9,9-trifluoro-8-oxo-N-pyridin-3-ylnonanamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1.CCC(=O)C(=O)CCCCCCC(=O)Nc1cccnc1.CCC(CC)C(=O)O.Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1.O=C(CCCCCCC(=O)C(F)(F)F)Nc1cccnc1.O=C(O)CCCc1ccccc1
InChIInChI=1S/C21H20N4O3.C16H22N2O3.C15H15N3O2.C14H17F3N2O2.C10H12O2.C6H12O2/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16;1-2-14(19)15(20)9-5-3-4-6-10-16(21)18-13-8-7-11-17-12-13;1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16;15-14(16,17)12(20)7-3-1-2-4-8-13(21)19-11-6-5-9-18-10-11;11-10(12)8-4-7-9-5-2-1-3-6-9;1-3-5(4-2)6(7)8/h1-12H,13-14,22H2,(H,24,27)(H,25,26);7-8,11-12H,2-6,9-10H2,1H3,(H,18,21);2-9H,16H2,1H3,(H,17,19)(H,18,20);5-6,9-10H,1-4,7-8H2,(H,19,21);1-3,5-6H,4,7-8H2,(H,11,12);5H,3-4H2,1-2H3,(H,7,8)
InChIKeyASGLEYOBUQWGKP-UHFFFAOYSA-N
MW1518.74 g/mol
LogP15.82
Rot. Bonds34

About 4-acetamido-N-(2-aminophenyl)benzamide;8,9-dioxo-N-pyridin-3-ylundecanamide;2-ethylbutanoic acid;4-phenylbutanoic acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;9,9,9-trifluoro-8-oxo-N-pyridin-3-ylnonanamide

4-acetamido-N-(2-aminophenyl)benzamide;8,9-dioxo-N-pyridin-3-ylundecanamide;2-ethylbutanoic acid;4-phenylbutanoic acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;9,9,9-trifluoro-8-oxo-N-pyridin-3-ylnonanamide (PubChem CID 157214494) has the molecular formula C82H98F3N11O14 and a molecular weight of 1518.74 g/mol. Its IUPAC name is 4-acetamido-N-(2-aminophenyl)benzamide;8,9-dioxo-N-pyridin-3-ylundecanamide;2-ethylbutanoic acid;4-phenylbutanoic acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;9,9,9-trifluoro-8-oxo-N-pyridin-3-ylnonanamide.

Molecular Properties

Compound Name4-acetamido-N-(2-aminophenyl)benzamide;8,9-dioxo-N-pyridin-3-ylundecanamide;2-ethylbutanoic acid;4-phenylbutanoic acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;9,9,9-trifluoro-8-oxo-N-pyridin-3-ylnonanamide
PubChem CID157214494
Molecular FormulaC82H98F3N11O14
Molecular Weight1518.74 g/mol
Exact Mass1517.72
IUPAC Name4-acetamido-N-(2-aminophenyl)benzamide;8,9-dioxo-N-pyridin-3-ylundecanamide;2-ethylbutanoic acid;4-phenylbutanoic acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;9,9,9-trifluoro-8-oxo-N-pyridin-3-ylnonanamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1.CCC(=O)C(=O)CCCCCCC(=O)Nc1cccnc1.CCC(CC)C(=O)O.Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1.O=C(CCCCCCC(=O)C(F)(F)F)Nc1cccnc1.O=C(O)CCCc1ccccc1
InChIInChI=1S/C21H20N4O3.C16H22N2O3.C15H15N3O2.C14H17F3N2O2.C10H12O2.C6H12O2/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16;1-2-14(19)15(20)9-5-3-4-6-10-16(21)18-13-8-7-11-17-12-13;1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16;15-14(16,17)12(20)7-3-1-2-4-8-13(21)19-11-6-5-9-18-10-11;11-10(12)8-4-7-9-5-2-1-3-6-9;1-3-5(4-2)6(7)8/h1-12H,13-14,22H2,(H,24,27)(H,25,26);7-8,11-12H,2-6,9-10H2,1H3,(H,18,21);2-9H,16H2,1H3,(H,17,19)(H,18,20);5-6,9-10H,1-4,7-8H2,(H,19,21);1-3,5-6H,4,7-8H2,(H,11,12);5H,3-4H2,1-2H3,(H,7,8)
InChIKeyASGLEYOBUQWGKP-UHFFFAOYSA-N
XLogP15.82
TPSA400.35 Ų
H-Bond Donors10
H-Bond Acceptors17
Rotatable Bonds34
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001518.74
LogP ≤ 515.82
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 4-acetamido-N-(2-aminophenyl)benzamide;8,9-dioxo-N-pyridin-3-ylundecanamide;2-ethylbutanoic acid;4-phenylbutanoic acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;9,9,9-trifluoro-8-oxo-N-pyridin-3-ylnonanamide with MolForge

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Related Compounds

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pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;2,2,2-trifluoroacetic acid
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CID 158367749
4-acetamido-N-(2-aminophenyl)benzamide;8,9-dioxo-N-phenylundecanamide;2-ethylbutanoic acid;4-phenylbutanoic acid;pyridin-3-ylmethyl N-[3-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]carbamate;9,9,9-trifluoro-8-oxo-N-phenylnonanamide
CID 158449282
1-(4-acetylphenyl)-3-methylbutan-2-one;1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;benzyl 2-methylpropanoate;N-tert-butyl-2-methylpropanamide;1-[4-(1,1-difluoroethyl)-4-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one;3,3-dimethyl-1-(4-methylphenyl)butan-2-one;2,2-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;2,2-dimethyl-N-pyridin-4-ylpropanamide;N-ethyl-2-methylpropanamide;methyl 2-methylpropanoate;3-methyl-1-(oxan-4-yl)butan-2-one;2-methyl-1-(oxan-4-yl)propan-1-one;bis(2-methylpentan-3-one);bis(3-methyl-1-phenylbutan-2-one);2-methyl-1-phenylpropan-1-one;4-(2-methylpropanoyl)cyclohexane-1-carboxylic acid;2-methyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;3-methyl-1-pyridin-4-ylbutan-2-one
CID 159130306
benzyl N-[[2-[2-(3-methylbutylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(pyridin-2-ylmethylcarbamoyl)phenyl]phenyl]methyl]carbamate;butyl N-[[2-[2-(3-methylbutylcarbamoyl)phenyl]phenyl]methyl]carbamate;butyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;(4-fluorophenyl)methyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;methane;[(1S)-1-phenylbutyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;4,4,4-trifluorobutyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate
CID 159285461
[4-(ethylamino)-1-pyrazin-2-ylcyclohexyl]methanol;bis(N-ethyl-N-[4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);4-(hydroxymethyl)-4-pyrazin-2-ylcyclohexan-1-one;4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzoic acid
CID 160612695
4-acetamido-N-(2-aminophenyl)benzamide;8,9-dioxo-N-phenylundecanamide;2-ethylbutanoic acid;4-phenylbutanoic acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;9,9,9-trifluoro-8-oxo-N-phenylnonanamide
CID 160923706
[2-oxo-2-[2-[[4-[[4-[(pyridin-3-ylmethoxycarbonylamino)methyl]benzoyl]amino]benzoyl]amino]anilino]ethyl]carbamoyloxymethyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(2-aminophenyl)benzamide;8,9-dioxo-N-pyridin-3-ylundecanamide;2-ethylbutanoic acid;4-phenylbutanoic acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;9,9,9-trifluoro-8-oxo-N-pyridin-3-ylnonanamide?
The IUPAC name of 4-acetamido-N-(2-aminophenyl)benzamide;8,9-dioxo-N-pyridin-3-ylundecanamide;2-ethylbutanoic acid;4-phenylbutanoic acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;9,9,9-trifluoro-8-oxo-N-pyridin-3-ylnonanamide (CID 157214494) is 4-acetamido-N-(2-aminophenyl)benzamide;8,9-dioxo-N-pyridin-3-ylundecanamide;2-ethylbutanoic acid;4-phenylbutanoic acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;9,9,9-trifluoro-8-oxo-N-pyridin-3-ylnonanamide.
What is the SMILES notation for 4-acetamido-N-(2-aminophenyl)benzamide;8,9-dioxo-N-pyridin-3-ylundecanamide;2-ethylbutanoic acid;4-phenylbutanoic acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;9,9,9-trifluoro-8-oxo-N-pyridin-3-ylnonanamide?
The canonical SMILES for 4-acetamido-N-(2-aminophenyl)benzamide;8,9-dioxo-N-pyridin-3-ylundecanamide;2-ethylbutanoic acid;4-phenylbutanoic acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;9,9,9-trifluoro-8-oxo-N-pyridin-3-ylnonanamide is CC(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1.CCC(=O)C(=O)CCCCCCC(=O)Nc1cccnc1.CCC(CC)C(=O)O.Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1.O=C(CCCCCCC(=O)C(F)(F)F)Nc1cccnc1.O=C(O)CCCc1ccccc1.
What is the InChIKey of 4-acetamido-N-(2-aminophenyl)benzamide;8,9-dioxo-N-pyridin-3-ylundecanamide;2-ethylbutanoic acid;4-phenylbutanoic acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;9,9,9-trifluoro-8-oxo-N-pyridin-3-ylnonanamide?
The InChIKey is ASGLEYOBUQWGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3.C16H22N2O3.C15H15N3O2.C14H17F3N2O2.C10H12O2.C6H12O2/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16;1-2-14(19)15(20)9-5-3-4-6-10-16(21)18-13-8-7-11-17-12-13;1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16;15-14(16,17)12(20)7-3-1-2-4-8-13(21)19-11-6-5-9-18-10-11;11-10(12)8-4-7-9-5-2-1-3-6-9;1-3-5(4-2)6(7)8/h1-12H,13-14,22H2,(H,24,27)(H,25,26);7-8,11-12H,2-6,9-10H2,1H3,(H,18,21);2-9H,16H2,1H3,(H,17,19)(H,18,20);5-6,9-10H,1-4,7-8H2,(H,19,21);1-3,5-6H,4,7-8H2,(H,11,12);5H,3-4H2,1-2H3,(H,7,8).
What are the key properties of 4-acetamido-N-(2-aminophenyl)benzamide;8,9-dioxo-N-pyridin-3-ylundecanamide;2-ethylbutanoic acid;4-phenylbutanoic acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;9,9,9-trifluoro-8-oxo-N-pyridin-3-ylnonanamide?
4-acetamido-N-(2-aminophenyl)benzamide;8,9-dioxo-N-pyridin-3-ylundecanamide;2-ethylbutanoic acid;4-phenylbutanoic acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;9,9,9-trifluoro-8-oxo-N-pyridin-3-ylnonanamide has a molecular weight of 1518.74 g/mol, XLogP of 15.82, 34 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(2-aminophenyl)benzamide;8,9-dioxo-N-pyridin-3-ylundecanamide;2-ethylbutanoic acid;4-phenylbutanoic acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;9,9,9-trifluoro-8-oxo-N-pyridin-3-ylnonanamide is sourced from PubChem (CID 157214494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).