4-chloro-3-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide

C18H16ClN3O4 — CID 1326639

IUPAC4-chloro-3-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C18H16ClN3O4/c19-14-8-7-12(11-16(14)22(25)26)17(23)20-15-6-2-1-5-13(15)18(24)21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10H2,(H,20,23)
InChIKeyLEYHSXNQCGYETJ-UHFFFAOYSA-N
MW373.80 g/mol
LogP3.74
Rot. Bonds4

About 4-chloro-3-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide

4-chloro-3-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide (PubChem CID 1326639) has the molecular formula C18H16ClN3O4 and a molecular weight of 373.80 g/mol. Its IUPAC name is 4-chloro-3-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
PubChem CID1326639
Molecular FormulaC18H16ClN3O4
Molecular Weight373.80 g/mol
Exact Mass373.08
IUPAC Name4-chloro-3-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C18H16ClN3O4/c19-14-8-7-12(11-16(14)22(25)26)17(23)20-15-6-2-1-5-13(15)18(24)21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10H2,(H,20,23)
InChIKeyLEYHSXNQCGYETJ-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
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 4-chloro-3-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide 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

(4-Chloro-3-nitrophenyl)(4-(2-fluorophenyl)piperazin-1-yl)methanone
CID 1334619
4-chloro-3-nitro-N-(2-phenylethyl)benzamide
CID 795980
4-Chloro-3-nitrobenzanilide
CID 96073
1-(4-Chloro-3-nitrobenzoyl)-1,2,3,4-tetrahydroquinoline
CID 711286
N-benzyl-4-chloro-N-ethyl-2-nitrobenzamide
CID 789142
N-cyclohexyl-5-nitro-2-(1-pyrrolidinyl)benzamide
CID 2969345
4-Chloro-3-nitrophenyl 4-(3-chlorophenyl)piperazinyl ketone
CID 3113382
4-chloro-2-nitro-N-(2-phenylethyl)benzamide
CID 694542
N-(4-anilinophenyl)-4-chloro-2-nitrobenzamide
CID 3500304
N-tert-butyl-3-nitro-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 4646761
N-benzyl-4-chloro-2-nitrobenzamide
CID 789173
N-(4-chlorophenyl)-2-nitrobenzamide
CID 695261

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-chloro-3-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide (CID 1326639) is 4-chloro-3-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-3-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-3-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide is O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-3-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The InChIKey is LEYHSXNQCGYETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4/c19-14-8-7-12(11-16(14)22(25)26)17(23)20-15-6-2-1-5-13(15)18(24)21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10H2,(H,20,23).
What are the key properties of 4-chloro-3-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
4-chloro-3-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide has a molecular weight of 373.80 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 1326639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).