(2S)-2-(3-nitroanilino)-N-(2-phenylphenyl)propanamide

C21H19N3O3 — CID 9345580

IUPAC(2S)-2-(3-nitroanilino)-N-(2-phenylphenyl)propanamide
SMILESC[C@H](Nc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H19N3O3/c1-15(22-17-10-7-11-18(14-17)24(26)27)21(25)23-20-13-6-5-12-19(20)16-8-3-2-4-9-16/h2-15,22H,1H3,(H,23,25)/t15-/m0/s1
InChIKeyPCNACGZAFZAAHB-HNNXBMFYSA-N
MW361.40 g/mol
LogP4.70
Rot. Bonds6

About (2S)-2-(3-nitroanilino)-N-(2-phenylphenyl)propanamide

(2S)-2-(3-nitroanilino)-N-(2-phenylphenyl)propanamide (PubChem CID 9345580) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is (2S)-2-(3-nitroanilino)-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-nitroanilino)-N-(2-phenylphenyl)propanamide
PubChem CID9345580
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name(2S)-2-(3-nitroanilino)-N-(2-phenylphenyl)propanamide
SMILESC[C@H](Nc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H19N3O3/c1-15(22-17-10-7-11-18(14-17)24(26)27)21(25)23-20-13-6-5-12-19(20)16-8-3-2-4-9-16/h2-15,22H,1H3,(H,23,25)/t15-/m0/s1
InChIKeyPCNACGZAFZAAHB-HNNXBMFYSA-N
XLogP4.70
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.70
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

(2R)-2-(3-nitroanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 9274223
(2R)-N-(2,5-dimethylphenyl)-2-(3-nitroanilino)propanamide
CID 9274186
(2S)-N-naphthalen-2-yl-2-(3-nitroanilino)propanamide
CID 9345649
N-tert-butyl-2-(3-nitroanilino)propanamide
CID 115573854
2-(3-chloro-4-methylanilino)-N-(3-nitrophenyl)propanamide
CID 46799452
(2R)-2-(1,3-benzodioxol-5-ylamino)-N-(3-nitrophenyl)propanamide
CID 2466995
2-(2-fluoro-4-nitroanilino)-N-phenylpropanamide
CID 133311026
(2S)-2-(3-acetylanilino)-N-(2-chloro-5-nitrophenyl)propanamide
CID 25340293
[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-amino-4-nitrobenzoate
CID 18100370
(2R)-N-(2-chloro-5-nitrophenyl)-2-(3-methoxyanilino)propanamide
CID 7830357
(2S)-2-acetamido-N-(2-phenylphenyl)propanamide
CID 95234854
(2S)-N-[(4-methylphenyl)methyl]-2-(3-nitroanilino)propanamide
CID 9274324

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-nitroanilino)-N-(2-phenylphenyl)propanamide?
The IUPAC name of (2S)-2-(3-nitroanilino)-N-(2-phenylphenyl)propanamide (CID 9345580) is (2S)-2-(3-nitroanilino)-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(3-nitroanilino)-N-(2-phenylphenyl)propanamide?
The canonical SMILES for (2S)-2-(3-nitroanilino)-N-(2-phenylphenyl)propanamide is C[C@H](Nc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of (2S)-2-(3-nitroanilino)-N-(2-phenylphenyl)propanamide?
The InChIKey is PCNACGZAFZAAHB-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-15(22-17-10-7-11-18(14-17)24(26)27)21(25)23-20-13-6-5-12-19(20)16-8-3-2-4-9-16/h2-15,22H,1H3,(H,23,25)/t15-/m0/s1.
What are the key properties of (2S)-2-(3-nitroanilino)-N-(2-phenylphenyl)propanamide?
(2S)-2-(3-nitroanilino)-N-(2-phenylphenyl)propanamide has a molecular weight of 361.40 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-nitroanilino)-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 9345580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).