4-[(4-nitrobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide

C24H23N3O4 — CID 7372197

IUPAC4-[(4-nitrobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C24H23N3O4/c1-17(7-8-18-5-3-2-4-6-18)25-23(28)19-9-13-21(14-10-19)26-24(29)20-11-15-22(16-12-20)27(30)31/h2-6,9-17H,7-8H2,1H3,(H,25,28)(H,26,29)/t17-/m0/s1
InChIKeyZDNAAHPYBPUWQW-KRWDZBQOSA-N
MW417.47 g/mol
LogP4.60
Rot. Bonds8

About 4-[(4-nitrobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide

4-[(4-nitrobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide (PubChem CID 7372197) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 4-[(4-nitrobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide.

Molecular Properties

Compound Name4-[(4-nitrobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide
PubChem CID7372197
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name4-[(4-nitrobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C24H23N3O4/c1-17(7-8-18-5-3-2-4-6-18)25-23(28)19-9-13-21(14-10-19)26-24(29)20-11-15-22(16-12-20)27(30)31/h2-6,9-17H,7-8H2,1H3,(H,25,28)(H,26,29)/t17-/m0/s1
InChIKeyZDNAAHPYBPUWQW-KRWDZBQOSA-N
XLogP4.60
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(carbamoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 26013431
3-bromo-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 2946068
methyl 3-nitro-5-[[(2R)-4-phenylbutan-2-yl]carbamoyl]benzoate
CID 1311432
N-[4-(butan-2-ylcarbamoyl)phenyl]-3,5-dinitrobenzamide
CID 17201208
N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide
CID 107026940
4-nitro-N-[4-[1-[4-[(4-nitrobenzoyl)amino]phenyl]-1-phenylethyl]phenyl]benzamide
CID 5091426
N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide
CID 1263174
N-[4-(hydrazinecarbonyl)phenyl]-N'-(4-phenylbutan-2-yl)oxamide
CID 45059559
2-(4-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2632338
(E)-3-(4-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide
CID 51417547
N-butan-2-yl-4-[(4-nitrobenzoyl)carbamothioylamino]benzamide
CID 17201421
1-(4-nitrophenyl)-N-[(2R)-4-phenylbutan-2-yl]cyclopropane-1-carboxamide
CID 100789169

Frequently Asked Questions

What is the IUPAC name of 4-[(4-nitrobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The IUPAC name of 4-[(4-nitrobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide (CID 7372197) is 4-[(4-nitrobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide.
What is the SMILES notation for 4-[(4-nitrobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The canonical SMILES for 4-[(4-nitrobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide is C[C@@H](CCc1ccccc1)NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-[(4-nitrobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The InChIKey is ZDNAAHPYBPUWQW-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-17(7-8-18-5-3-2-4-6-18)25-23(28)19-9-13-21(14-10-19)26-24(29)20-11-15-22(16-12-20)27(30)31/h2-6,9-17H,7-8H2,1H3,(H,25,28)(H,26,29)/t17-/m0/s1.
What are the key properties of 4-[(4-nitrobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide?
4-[(4-nitrobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide has a molecular weight of 417.47 g/mol, XLogP of 4.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-nitrobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide is sourced from PubChem (CID 7372197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).