(2S)-2-amino-N-(4-chloro-2-nitrophenyl)-2-phenylacetamide

C14H12ClN3O3 — CID 104897258

IUPAC(2S)-2-amino-N-(4-chloro-2-nitrophenyl)-2-phenylacetamide
SMILESN[C@H](C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C14H12ClN3O3/c15-10-6-7-11(12(8-10)18(20)21)17-14(19)13(16)9-4-2-1-3-5-9/h1-8,13H,16H2,(H,17,19)/t13-/m0/s1
InChIKeyXVOVAVHGQZENAU-ZDUSSCGKSA-N
MW305.72 g/mol
LogP2.89
Rot. Bonds4

About (2S)-2-amino-N-(4-chloro-2-nitrophenyl)-2-phenylacetamide

(2S)-2-amino-N-(4-chloro-2-nitrophenyl)-2-phenylacetamide (PubChem CID 104897258) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-chloro-2-nitrophenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-chloro-2-nitrophenyl)-2-phenylacetamide
PubChem CID104897258
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name(2S)-2-amino-N-(4-chloro-2-nitrophenyl)-2-phenylacetamide
SMILESN[C@H](C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C14H12ClN3O3/c15-10-6-7-11(12(8-10)18(20)21)17-14(19)13(16)9-4-2-1-3-5-9/h1-8,13H,16H2,(H,17,19)/t13-/m0/s1
InChIKeyXVOVAVHGQZENAU-ZDUSSCGKSA-N
XLogP2.89
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 52.89
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'}

Analyze (2S)-2-amino-N-(4-chloro-2-nitrophenyl)-2-phenylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-N-(4-chloro-2-nitrophenyl)-2-phenoxypropanamide
CID 7453838
3-amino-N-(4-chloro-2-nitrophenyl)butanamide
CID 60837665
N-(4-chloro-2-nitrophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898566
2-amino-N-(4-chlorophenyl)-2-phenylacetamide
CID 24702199
1-tert-butyl-3-(4-chloro-2-nitrophenyl)urea
CID 113218543
N-[(4-chloro-2-nitrophenyl)carbamothioyl]benzamide
CID 4948406
(2R)-2-amino-N-(2-chloro-4-iodophenyl)-2-phenylacetamide
CID 61180487
1-(4-chloro-2-nitrophenyl)-3-dichlorophosphorylurea
CID 91621927
4-[[(2S)-2-amino-2-phenylacetyl]amino]-3-chlorobenzoic acid
CID 103869601
[2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2-(2,4-dichlorophenyl)acetate
CID 5008262
N-(4-chloro-2-nitrophenyl)-2-oxobutanamide
CID 54214320
2-(4-chloro-2-nitroanilino)propanoic acid
CID 43468856

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-chloro-2-nitrophenyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-(4-chloro-2-nitrophenyl)-2-phenylacetamide (CID 104897258) is (2S)-2-amino-N-(4-chloro-2-nitrophenyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-(4-chloro-2-nitrophenyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-(4-chloro-2-nitrophenyl)-2-phenylacetamide is N[C@H](C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(4-chloro-2-nitrophenyl)-2-phenylacetamide?
The InChIKey is XVOVAVHGQZENAU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c15-10-6-7-11(12(8-10)18(20)21)17-14(19)13(16)9-4-2-1-3-5-9/h1-8,13H,16H2,(H,17,19)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-chloro-2-nitrophenyl)-2-phenylacetamide?
(2S)-2-amino-N-(4-chloro-2-nitrophenyl)-2-phenylacetamide has a molecular weight of 305.72 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-chloro-2-nitrophenyl)-2-phenylacetamide is sourced from PubChem (CID 104897258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).