N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)acetamide

C15H13ClN2O3 — CID 26264303

IUPACN-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(Cl)c1
InChIInChI=1S/C15H13ClN2O3/c1-10-2-7-14(13(16)8-10)17-15(19)9-11-3-5-12(6-4-11)18(20)21/h2-8H,9H2,1H3,(H,17,19)
InChIKeyNAUFZOFZBHPBHB-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.74
Rot. Bonds4

About N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)acetamide

N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)acetamide (PubChem CID 26264303) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)acetamide
PubChem CID26264303
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC NameN-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(Cl)c1
InChIInChI=1S/C15H13ClN2O3/c1-10-2-7-14(13(16)8-10)17-15(19)9-11-3-5-12(6-4-11)18(20)21/h2-8H,9H2,1H3,(H,17,19)
InChIKeyNAUFZOFZBHPBHB-UHFFFAOYSA-N
XLogP3.74
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.74
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-5-nitrophenyl)-2-(4-methylphenyl)acetamide
CID 889214
N-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 772340
N-(2-chloro-4-nitrophenyl)-2-(methylamino)acetamide
CID 43218215
N-(2-chloro-4-methylphenyl)-2-(4-methyl-2-nitroanilino)acetamide
CID 133389417
N-(2-chloro-5-nitrophenyl)-2-(4-chlorophenyl)acetamide
CID 4048119
N-(2-chloro-4-methylphenyl)-3-[(2-methyl-4-nitrophenyl)sulfonylamino]propanamide
CID 86884405
N-(2-chloro-4-methylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963066
(2R)-N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)sulfonylpropanamide
CID 8571974
2-(2-chloro-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9099396
2-(tert-butylamino)-N-(2-chloro-4-nitrophenyl)acetamide
CID 27150066
N-(2-chloro-4-nitrophenyl)-4-hydroxypentanamide
CID 79200154
2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2892197

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)acetamide (CID 26264303) is N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)acetamide is Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)acetamide?
The InChIKey is NAUFZOFZBHPBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-10-2-7-14(13(16)8-10)17-15(19)9-11-3-5-12(6-4-11)18(20)21/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)acetamide?
N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)acetamide has a molecular weight of 304.73 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 26264303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).