2-(4-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide

C15H13ClN2O4 — CID 821112

IUPAC2-(4-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O4/c1-22-14-7-6-12(18(20)21)9-13(14)17-15(19)8-10-2-4-11(16)5-3-10/h2-7,9H,8H2,1H3,(H,17,19)
InChIKeyCYRUJMCNLKHNPT-UHFFFAOYSA-N
MW320.73 g/mol
LogP3.44
Rot. Bonds5

About 2-(4-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide

2-(4-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide (PubChem CID 821112) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
PubChem CID821112
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC Name2-(4-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O4/c1-22-14-7-6-12(18(20)21)9-13(14)17-15(19)8-10-2-4-11(16)5-3-10/h2-7,9H,8H2,1H3,(H,17,19)
InChIKeyCYRUJMCNLKHNPT-UHFFFAOYSA-N
XLogP3.44
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxy-5-nitrophenyl)-4-phenyltetrahydro-2H-pyran-4-carboxamide
CID 1260384
N-(4-methoxy-3-nitrophenyl)-3,5-dimethylbenzamide
CID 2208981
N-(5-acetamido-2-methoxyphenyl)-4-chlorobenzamide
CID 2579845
N-(2-methoxy-5-nitrophenyl)-3-phenylpropanamide
CID 674958
N-(5-amino-2-methoxyphenyl)-2,4-dichlorobenzamide
CID 823460
N-(5-nitro-2-phenylmethoxyphenyl)acetamide
CID 264613
2-chloro-N-(2-methoxyphenyl)-5-nitrobenzamide
CID 711418
N-(2-methoxy-5-nitrophenyl)-2-(4-methylphenyl)acetamide
CID 891067
N-(2-methoxy-5-nitrophenyl)-3,3-diphenylpropanamide
CID 1362633
N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide
CID 2932400
N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 2939314
[1-(2-Methoxy-5-nitroanilino)-1-oxopropan-2-yl] 2-(4-chlorobenzoyl)benzoate
CID 4213000

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide (CID 821112) is 2-(4-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide is COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide?
The InChIKey is CYRUJMCNLKHNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c1-22-14-7-6-12(18(20)21)9-13(14)17-15(19)8-10-2-4-11(16)5-3-10/h2-7,9H,8H2,1H3,(H,17,19).
What are the key properties of 2-(4-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide?
2-(4-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide has a molecular weight of 320.73 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide is sourced from PubChem (CID 821112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).