(2S)-N-(3-chloro-4-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide

C14H16ClN3O4 — CID 97338133

IUPAC(2S)-N-(3-chloro-4-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC[C@@H](C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCCC1=O
InChIInChI=1S/C14H16ClN3O4/c1-2-11(17-7-3-4-13(17)19)14(20)16-9-5-6-12(18(21)22)10(15)8-9/h5-6,8,11H,2-4,7H2,1H3,(H,16,20)/t11-/m0/s1
InChIKeyJIMBPRSUPHBQMA-NSHDSACASA-N
MW325.75 g/mol
LogP2.59
Rot. Bonds5

About (2S)-N-(3-chloro-4-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide

(2S)-N-(3-chloro-4-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 97338133) has the molecular formula C14H16ClN3O4 and a molecular weight of 325.75 g/mol. Its IUPAC name is (2S)-N-(3-chloro-4-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-4-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID97338133
Molecular FormulaC14H16ClN3O4
Molecular Weight325.75 g/mol
Exact Mass325.08
IUPAC Name(2S)-N-(3-chloro-4-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC[C@@H](C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCCC1=O
InChIInChI=1S/C14H16ClN3O4/c1-2-11(17-7-3-4-13(17)19)14(20)16-9-5-6-12(18(21)22)10(15)8-9/h5-6,8,11H,2-4,7H2,1H3,(H,16,20)/t11-/m0/s1
InChIKeyJIMBPRSUPHBQMA-NSHDSACASA-N
XLogP2.59
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 52.59
H-Bond Donors ≤ 51
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)-N-(3-chloro-4-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide 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

2-bromo-N-(3-chloro-4-nitrophenyl)butanamide
CID 82864976
N-(2-chloro-4-methoxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 71867206
2-amino-N-(3-chloro-4-nitrophenyl)-3,3-dimethylbutanamide
CID 112555883
1-[(2S)-1-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl]pyrrolidin-2-one
CID 99820787
(2R)-N-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide
CID 135817952
3-[3-(3-chloro-4-nitroanilino)-3-oxopropyl]sulfanyl-N-(3-chloro-4-nitrophenyl)propanamide
CID 3690405
ethyl N-(3-chloro-4-nitrophenyl)carbamate
CID 22921588
N-(3-chloro-4-nitrophenyl)-2-(ethylamino)-2-methylpropanamide
CID 82865144
2-(azetidin-3-yl)-N-(3-chloro-4-nitrophenyl)propanamide
CID 116678757
2-[2-(3-chloro-4-nitroanilino)-2-oxoethyl]sulfanylacetic acid
CID 104570274
N-(3-chloro-4-nitrophenyl)-2-methyl-2-(methylamino)propanamide
CID 82864476
N-(3-bromo-2-pyridinyl)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 71980567

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-4-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of (2S)-N-(3-chloro-4-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide (CID 97338133) is (2S)-N-(3-chloro-4-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for (2S)-N-(3-chloro-4-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for (2S)-N-(3-chloro-4-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide is CC[C@@H](C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCCC1=O.
What is the InChIKey of (2S)-N-(3-chloro-4-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is JIMBPRSUPHBQMA-NSHDSACASA-N. The full InChI is InChI=1S/C14H16ClN3O4/c1-2-11(17-7-3-4-13(17)19)14(20)16-9-5-6-12(18(21)22)10(15)8-9/h5-6,8,11H,2-4,7H2,1H3,(H,16,20)/t11-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-4-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide?
(2S)-N-(3-chloro-4-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 325.75 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chloro-4-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 97338133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).