2-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide

C18H16ClN3O4 — CID 7686600

IUPAC2-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide
SMILESCc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1N1CCCC1=O
InChIInChI=1S/C18H16ClN3O4/c1-11-9-12(4-7-16(11)21-8-2-3-17(21)23)20-18(24)14-6-5-13(22(25)26)10-15(14)19/h4-7,9-10H,2-3,8H2,1H3,(H,20,24)
InChIKeyYMGQRUPUIKLOIF-UHFFFAOYSA-N
MW373.80 g/mol
LogP3.94
Rot. Bonds4

About 2-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide

2-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide (PubChem CID 7686600) has the molecular formula C18H16ClN3O4 and a molecular weight of 373.80 g/mol. Its IUPAC name is 2-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide
PubChem CID7686600
Molecular FormulaC18H16ClN3O4
Molecular Weight373.80 g/mol
Exact Mass373.08
IUPAC Name2-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide
SMILESCc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1N1CCCC1=O
InChIInChI=1S/C18H16ClN3O4/c1-11-9-12(4-7-16(11)21-8-2-3-17(21)23)20-18(24)14-6-5-13(22(25)26)10-15(14)19/h4-7,9-10H,2-3,8H2,1H3,(H,20,24)
InChIKeyYMGQRUPUIKLOIF-UHFFFAOYSA-N
XLogP3.94
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 53.94
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 2-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide 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-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide
CID 7687142
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-nitrobenzamide
CID 7686563
2-chloro-3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 131946801
2-chloro-4-nitro-N-[2-[[3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]benzamide
CID 55396013
N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide
CID 7686984
2,5-dimethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 42140184
2-chloro-N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-4-nitrobenzamide
CID 2981763
2,3-dimethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 42140218
4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
CID 45393767
2-bromo-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686588
2,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686691
2-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-nitrobenzenesulfonamide
CID 7635830

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide (CID 7686600) is 2-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide is Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1N1CCCC1=O.
What is the InChIKey of 2-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide?
The InChIKey is YMGQRUPUIKLOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4/c1-11-9-12(4-7-16(11)21-8-2-3-17(21)23)20-18(24)14-6-5-13(22(25)26)10-15(14)19/h4-7,9-10H,2-3,8H2,1H3,(H,20,24).
What are the key properties of 2-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide?
2-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide has a molecular weight of 373.80 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide is sourced from PubChem (CID 7686600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).