3-chloro-4-methyl-N-(2-methyl-4-nitrophenyl)benzamide

C15H13ClN2O3 — CID 2913893

IUPAC3-chloro-4-methyl-N-(2-methyl-4-nitrophenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1Cl
InChIInChI=1S/C15H13ClN2O3/c1-9-3-4-11(8-13(9)16)15(19)17-14-6-5-12(18(20)21)7-10(14)2/h3-8H,1-2H3,(H,17,19)
InChIKeyCYMLCRUHJCBYTJ-UHFFFAOYSA-N
MW304.73 g/mol
LogP4.12
Rot. Bonds3

About 3-chloro-4-methyl-N-(2-methyl-4-nitrophenyl)benzamide

3-chloro-4-methyl-N-(2-methyl-4-nitrophenyl)benzamide (PubChem CID 2913893) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-(2-methyl-4-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-(2-methyl-4-nitrophenyl)benzamide
PubChem CID2913893
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name3-chloro-4-methyl-N-(2-methyl-4-nitrophenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1Cl
InChIInChI=1S/C15H13ClN2O3/c1-9-3-4-11(8-13(9)16)15(19)17-14-6-5-12(18(20)21)7-10(14)2/h3-8H,1-2H3,(H,17,19)
InChIKeyCYMLCRUHJCBYTJ-UHFFFAOYSA-N
XLogP4.12
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-chloro-4-nitrophenyl)-4-methyl-3-nitrobenzamide
CID 5099855
3-chloro-4-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220829
3-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)-4-methylbenzamide
CID 17102161
N-(2-chloro-5-nitrophenyl)-3,4-dimethylbenzamide
CID 867680
N-(2-chloro-4-nitrophenyl)-3-methyl-4-nitrobenzamide
CID 4985989
3-bromo-4-fluoro-N-(2-methyl-4-nitrophenyl)benzamide
CID 107951971
3-bromo-4-chloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 103841659
3-chloro-N-(2-chloro-4-nitrophenyl)-4-hydroxybenzamide
CID 25217158
3-chloro-N-(2-chloro-5-nitrophenyl)-4-(methanesulfonamido)benzamide
CID 92647267
3,6-dichloro-N-(2-methyl-4-nitrophenyl)pyridine-2-carboxamide
CID 60651020
3-chloro-4-methoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2915297
3-methoxy-N-(2-methyl-4-nitrophenyl)benzamide
CID 4992628

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-(2-methyl-4-nitrophenyl)benzamide?
The IUPAC name of 3-chloro-4-methyl-N-(2-methyl-4-nitrophenyl)benzamide (CID 2913893) is 3-chloro-4-methyl-N-(2-methyl-4-nitrophenyl)benzamide.
What is the SMILES notation for 3-chloro-4-methyl-N-(2-methyl-4-nitrophenyl)benzamide?
The canonical SMILES for 3-chloro-4-methyl-N-(2-methyl-4-nitrophenyl)benzamide is Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-(2-methyl-4-nitrophenyl)benzamide?
The InChIKey is CYMLCRUHJCBYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-9-3-4-11(8-13(9)16)15(19)17-14-6-5-12(18(20)21)7-10(14)2/h3-8H,1-2H3,(H,17,19).
What are the key properties of 3-chloro-4-methyl-N-(2-methyl-4-nitrophenyl)benzamide?
3-chloro-4-methyl-N-(2-methyl-4-nitrophenyl)benzamide has a molecular weight of 304.73 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-(2-methyl-4-nitrophenyl)benzamide is sourced from PubChem (CID 2913893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).