N-(2-chloro-4,6-dimethylphenyl)-4-nitrobenzamide

C15H13ClN2O3 — CID 2673711

IUPACN-(2-chloro-4,6-dimethylphenyl)-4-nitrobenzamide
SMILESCc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1
InChIInChI=1S/C15H13ClN2O3/c1-9-7-10(2)14(13(16)8-9)17-15(19)11-3-5-12(6-4-11)18(20)21/h3-8H,1-2H3,(H,17,19)
InChIKeyJLBYKVAWMWKQRR-UHFFFAOYSA-N
MW304.73 g/mol
LogP4.12
Rot. Bonds3

About N-(2-chloro-4,6-dimethylphenyl)-4-nitrobenzamide

N-(2-chloro-4,6-dimethylphenyl)-4-nitrobenzamide (PubChem CID 2673711) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-4-nitrobenzamide
PubChem CID2673711
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-4-nitrobenzamide
SMILESCc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1
InChIInChI=1S/C15H13ClN2O3/c1-9-7-10(2)14(13(16)8-9)17-15(19)11-3-5-12(6-4-11)18(20)21/h3-8H,1-2H3,(H,17,19)
InChIKeyJLBYKVAWMWKQRR-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-4,6-dimethylphenyl)-4-methylsulfanyl-3-nitrobenzamide
CID 26200107
4-N-tert-butyl-1-N-(2-chloro-4,6-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109048521
N-(3,5-dimethylphenyl)-4-nitrobenzamide
CID 2843294
N-(3-bromo-5-methylphenyl)-4-nitrobenzamide
CID 104938740
N-(2-chloro-4,6-dimethylphenyl)naphthalene-2-carboxamide
CID 7749916
N-(2-bromo-6-chloro-4-fluorophenyl)-4-nitrobenzamide
CID 103867738
N-(2-chloro-4,6-dimethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4004468
N-(2-chloro-4,6-dimethylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 110295534
N-(2-chloro-4,6-dimethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890150
N-(5-hydroxy-2-methylphenyl)-4-nitrobenzamide
CID 141373878
N-(4,6-dichloropyrimidin-5-yl)-4-nitrobenzamide
CID 2322667
N-(5-bromo-2-chlorophenyl)-4-nitrobenzamide
CID 62908932

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-4-nitrobenzamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-4-nitrobenzamide (CID 2673711) is N-(2-chloro-4,6-dimethylphenyl)-4-nitrobenzamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-4-nitrobenzamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-4-nitrobenzamide is Cc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-4-nitrobenzamide?
The InChIKey is JLBYKVAWMWKQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-9-7-10(2)14(13(16)8-9)17-15(19)11-3-5-12(6-4-11)18(20)21/h3-8H,1-2H3,(H,17,19).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-4-nitrobenzamide?
N-(2-chloro-4,6-dimethylphenyl)-4-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-(2-chloro-4,6-dimethylphenyl)-4-nitrobenzamide is sourced from PubChem (CID 2673711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).