N-(3-chloro-4-methylphenyl)-2-methyl-3-nitrobenzamide

C15H13ClN2O3 — CID 710986

IUPACN-(3-chloro-4-methylphenyl)-2-methyl-3-nitrobenzamide
SMILESCc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1Cl
InChIInChI=1S/C15H13ClN2O3/c1-9-6-7-11(8-13(9)16)17-15(19)12-4-3-5-14(10(12)2)18(20)21/h3-8H,1-2H3,(H,17,19)
InChIKeyHSXRKXCZGRXMBR-UHFFFAOYSA-N
MW304.73 g/mol
LogP4.12
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-2-methyl-3-nitrobenzamide

N-(3-chloro-4-methylphenyl)-2-methyl-3-nitrobenzamide (PubChem CID 710986) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-methyl-3-nitrobenzamide
PubChem CID710986
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC NameN-(3-chloro-4-methylphenyl)-2-methyl-3-nitrobenzamide
SMILESCc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1Cl
InChIInChI=1S/C15H13ClN2O3/c1-9-6-7-11(8-13(9)16)17-15(19)12-4-3-5-14(10(12)2)18(20)21/h3-8H,1-2H3,(H,17,19)
InChIKeyHSXRKXCZGRXMBR-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-(3,4-dimethylphenyl)-2-methyl-3-nitrobenzamide
CID 5187625
2-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3644824
N-(3-chlorophenyl)-2-methyl-3-nitrobenzamide
CID 803481
ethyl 2-chloro-4-[(2-methyl-3-nitrobenzoyl)amino]benzoate
CID 92673713
ethyl 2-chloro-5-[(2-methyl-3-nitrobenzoyl)amino]benzoate
CID 28575292
2-methyl-N-(4-methylphenyl)-3-nitrobenzamide
CID 779960
N-(3-bromophenyl)-2-methyl-3-nitrobenzamide
CID 799056
2-chloro-N-(3-chloro-4-methylphenyl)-3,5-dinitrobenzamide
CID 4633443
N-(3-formylphenyl)-2-methyl-3-nitrobenzamide
CID 106912464
2-methyl-N-(4-methylsulfanylphenyl)-3-nitrobenzamide
CID 42369775
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-methyl-3-nitrobenzamide
CID 28671455
2-methyl-3-nitro-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960700

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-methyl-3-nitrobenzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-methyl-3-nitrobenzamide (CID 710986) is N-(3-chloro-4-methylphenyl)-2-methyl-3-nitrobenzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-methyl-3-nitrobenzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-methyl-3-nitrobenzamide is Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-methyl-3-nitrobenzamide?
The InChIKey is HSXRKXCZGRXMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-9-6-7-11(8-13(9)16)17-15(19)12-4-3-5-14(10(12)2)18(20)21/h3-8H,1-2H3,(H,17,19).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-methyl-3-nitrobenzamide?
N-(3-chloro-4-methylphenyl)-2-methyl-3-nitrobenzamide 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 N-(3-chloro-4-methylphenyl)-2-methyl-3-nitrobenzamide is sourced from PubChem (CID 710986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).