5-chloro-2-(methylamino)-N-(3-nitrophenyl)benzamide

C14H12ClN3O3 — CID 62166987

IUPAC5-chloro-2-(methylamino)-N-(3-nitrophenyl)benzamide
SMILESCNc1ccc(Cl)cc1C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H12ClN3O3/c1-16-13-6-5-9(15)7-12(13)14(19)17-10-3-2-4-11(8-10)18(20)21/h2-8,16H,1H3,(H,17,19)
InChIKeyJCKJVFYOSIGPDW-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.54
Rot. Bonds4

About 5-chloro-2-(methylamino)-N-(3-nitrophenyl)benzamide

5-chloro-2-(methylamino)-N-(3-nitrophenyl)benzamide (PubChem CID 62166987) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 5-chloro-2-(methylamino)-N-(3-nitrophenyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(methylamino)-N-(3-nitrophenyl)benzamide
PubChem CID62166987
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name5-chloro-2-(methylamino)-N-(3-nitrophenyl)benzamide
SMILESCNc1ccc(Cl)cc1C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H12ClN3O3/c1-16-13-6-5-9(15)7-12(13)14(19)17-10-3-2-4-11(8-10)18(20)21/h2-8,16H,1H3,(H,17,19)
InChIKeyJCKJVFYOSIGPDW-UHFFFAOYSA-N
XLogP3.54
TPSA84.27 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 ≤ 53.54
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'}

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963040
2-chloro-4,5-difluoro-N-(3-nitrophenyl)benzamide
CID 797365
2-[5-chloro-2-(phenylcarbamoyl)phenyl]-5-methyl-N-(3-nitrophenyl)benzamide
CID 134694588
N-(4-bromophenyl)-5-chloro-2-[(3-nitrobenzoyl)amino]benzamide
CID 1313410
N-(3,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 24531986
2-fluoro-N-(3-nitrophenyl)benzamide
CID 531938
5-chloro-N-(3,5-dimethylphenyl)-2-(methylamino)benzamide
CID 62165706
5-chloro-N-(4-chloro-3-methoxyphenyl)-2-(methylamino)benzamide
CID 107623034
5-bromo-2-fluoro-N-(3-nitrophenyl)benzamide
CID 9410966
2-[(3-nitrophenyl)carbamoyl]benzoate
CID 6935895
2,5-dimethyl-N-(3-nitrophenyl)thiophene-3-carboxamide
CID 16960210
5-chloro-N-(3-chlorophenyl)-2-hydrazinylbenzamide
CID 55052324

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(methylamino)-N-(3-nitrophenyl)benzamide?
The IUPAC name of 5-chloro-2-(methylamino)-N-(3-nitrophenyl)benzamide (CID 62166987) is 5-chloro-2-(methylamino)-N-(3-nitrophenyl)benzamide.
What is the SMILES notation for 5-chloro-2-(methylamino)-N-(3-nitrophenyl)benzamide?
The canonical SMILES for 5-chloro-2-(methylamino)-N-(3-nitrophenyl)benzamide is CNc1ccc(Cl)cc1C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 5-chloro-2-(methylamino)-N-(3-nitrophenyl)benzamide?
The InChIKey is JCKJVFYOSIGPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c1-16-13-6-5-9(15)7-12(13)14(19)17-10-3-2-4-11(8-10)18(20)21/h2-8,16H,1H3,(H,17,19).
What are the key properties of 5-chloro-2-(methylamino)-N-(3-nitrophenyl)benzamide?
5-chloro-2-(methylamino)-N-(3-nitrophenyl)benzamide has a molecular weight of 305.72 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(methylamino)-N-(3-nitrophenyl)benzamide is sourced from PubChem (CID 62166987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).