3-chloro-N-methyl-4-nitro-N-pyridin-4-ylbenzamide

C13H10ClN3O3 — CID 106934877

IUPAC3-chloro-N-methyl-4-nitro-N-pyridin-4-ylbenzamide
SMILESCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccncc1
InChIInChI=1S/C13H10ClN3O3/c1-16(10-4-6-15-7-5-10)13(18)9-2-3-12(17(19)20)11(14)8-9/h2-8H,1H3
InChIKeyWTLDUECOSZMBBU-UHFFFAOYSA-N
MW291.69 g/mol
LogP2.92
Rot. Bonds3

About 3-chloro-N-methyl-4-nitro-N-pyridin-4-ylbenzamide

3-chloro-N-methyl-4-nitro-N-pyridin-4-ylbenzamide (PubChem CID 106934877) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is 3-chloro-N-methyl-4-nitro-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name3-chloro-N-methyl-4-nitro-N-pyridin-4-ylbenzamide
PubChem CID106934877
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Name3-chloro-N-methyl-4-nitro-N-pyridin-4-ylbenzamide
SMILESCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccncc1
InChIInChI=1S/C13H10ClN3O3/c1-16(10-4-6-15-7-5-10)13(18)9-2-3-12(17(19)20)11(14)8-9/h2-8H,1H3
InChIKeyWTLDUECOSZMBBU-UHFFFAOYSA-N
XLogP2.92
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 52.92
H-Bond Donors ≤ 50
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 3-chloro-N-methyl-4-nitro-N-pyridin-4-ylbenzamide 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

3-chloro-N-(3-fluorophenyl)-N-methyl-4-nitrobenzamide
CID 82776222
3-chloro-N-methyl-4-nitro-N-propan-2-ylbenzamide
CID 82781173
3-fluoro-N-(4-fluorophenyl)-N-methyl-4-nitrobenzamide
CID 62682016
3-fluoro-N-methyl-N-(4-methylphenyl)-4-nitrobenzamide
CID 62682180
3-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-4-nitrobenzamide
CID 82780349
3-chloro-N-[3-(dimethylamino)propyl]-N-methyl-4-nitrobenzamide
CID 82781655
3-chloro-N,N-bis(2-methylpropyl)-4-nitrobenzamide
CID 82776447
N-(4-tert-butylphenyl)-N,3-dimethyl-4-nitrobenzamide
CID 60560008
3-chloro-N-methyl-4-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 82781483
2,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-4-carboxamide
CID 43090842
2-chloro-N-methyl-3-nitro-N-pyridin-4-ylpyridine-4-carboxamide
CID 106934906
3-chloro-N-(2-methylpropyl)-4-nitro-N-propan-2-ylbenzamide
CID 82780952

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-4-nitro-N-pyridin-4-ylbenzamide?
The IUPAC name of 3-chloro-N-methyl-4-nitro-N-pyridin-4-ylbenzamide (CID 106934877) is 3-chloro-N-methyl-4-nitro-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 3-chloro-N-methyl-4-nitro-N-pyridin-4-ylbenzamide?
The canonical SMILES for 3-chloro-N-methyl-4-nitro-N-pyridin-4-ylbenzamide is CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccncc1.
What is the InChIKey of 3-chloro-N-methyl-4-nitro-N-pyridin-4-ylbenzamide?
The InChIKey is WTLDUECOSZMBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c1-16(10-4-6-15-7-5-10)13(18)9-2-3-12(17(19)20)11(14)8-9/h2-8H,1H3.
What are the key properties of 3-chloro-N-methyl-4-nitro-N-pyridin-4-ylbenzamide?
3-chloro-N-methyl-4-nitro-N-pyridin-4-ylbenzamide has a molecular weight of 291.69 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-4-nitro-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 106934877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).