N-(2-chloro-5-nitrophenyl)-2-(4-methylphenyl)acetamide

C15H13ClN2O3 — CID 889214

IUPACN-(2-chloro-5-nitrophenyl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1
InChIInChI=1S/C15H13ClN2O3/c1-10-2-4-11(5-3-10)8-15(19)17-14-9-12(18(20)21)6-7-13(14)16/h2-7,9H,8H2,1H3,(H,17,19)
InChIKeyCLDBPAZJMPMBML-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.74
Rot. Bonds4

About N-(2-chloro-5-nitrophenyl)-2-(4-methylphenyl)acetamide

N-(2-chloro-5-nitrophenyl)-2-(4-methylphenyl)acetamide (PubChem CID 889214) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)-2-(4-methylphenyl)acetamide
PubChem CID889214
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC NameN-(2-chloro-5-nitrophenyl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1
InChIInChI=1S/C15H13ClN2O3/c1-10-2-4-11(5-3-10)8-15(19)17-14-9-12(18(20)21)6-7-13(14)16/h2-7,9H,8H2,1H3,(H,17,19)
InChIKeyCLDBPAZJMPMBML-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-chlorophenyl)acetamide
CID 4048119
N-(2-chloro-5-nitrophenyl)-2-(4-phenylphenyl)acetamide
CID 92556751
N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 26264303
N-(2-chloro-5-nitrophenyl)propanamide
CID 4280315
3-(2-chloro-5-nitroanilino)-3-oxopropanoic acid
CID 62231127
N-(2-chloro-5-nitrophenyl)-2-(dimethylamino)acetamide
CID 11043415
N-(5-amino-2-chlorophenyl)-2-(4-methylphenyl)acetamide
CID 43548738
[2-(2-chloro-5-nitroanilino)-2-oxoethyl]-trimethylazanium chloride
CID 11098862
2-(4-chlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4639208
4-chloro-3-[[2-(4-methylphenyl)acetyl]amino]benzoic acid
CID 43235603
N-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 772340
1-(2-chloro-5-nitrophenyl)-3-(4-methylphenyl)thiourea
CID 17283738

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)-2-(4-methylphenyl)acetamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)-2-(4-methylphenyl)acetamide (CID 889214) is N-(2-chloro-5-nitrophenyl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)-2-(4-methylphenyl)acetamide?
The InChIKey is CLDBPAZJMPMBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-10-2-4-11(5-3-10)8-15(19)17-14-9-12(18(20)21)6-7-13(14)16/h2-7,9H,8H2,1H3,(H,17,19).
What are the key properties of N-(2-chloro-5-nitrophenyl)-2-(4-methylphenyl)acetamide?
N-(2-chloro-5-nitrophenyl)-2-(4-methylphenyl)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-5-nitrophenyl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 889214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).