2-(2-chloro-6-methylphenoxy)-N-(3-nitrophenyl)acetamide

C15H13ClN2O4 — CID 38113149

IUPAC2-(2-chloro-6-methylphenoxy)-N-(3-nitrophenyl)acetamide
SMILESCc1cccc(Cl)c1OCC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H13ClN2O4/c1-10-4-2-7-13(16)15(10)22-9-14(19)17-11-5-3-6-12(8-11)18(20)21/h2-8H,9H2,1H3,(H,17,19)
InChIKeyFOTJCCSEHGMWKM-UHFFFAOYSA-N
MW320.73 g/mol
LogP3.57
Rot. Bonds5

About 2-(2-chloro-6-methylphenoxy)-N-(3-nitrophenyl)acetamide

2-(2-chloro-6-methylphenoxy)-N-(3-nitrophenyl)acetamide (PubChem CID 38113149) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is 2-(2-chloro-6-methylphenoxy)-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-methylphenoxy)-N-(3-nitrophenyl)acetamide
PubChem CID38113149
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC Name2-(2-chloro-6-methylphenoxy)-N-(3-nitrophenyl)acetamide
SMILESCc1cccc(Cl)c1OCC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H13ClN2O4/c1-10-4-2-7-13(16)15(10)22-9-14(19)17-11-5-3-6-12(8-11)18(20)21/h2-8H,9H2,1H3,(H,17,19)
InChIKeyFOTJCCSEHGMWKM-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
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

2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)acetamide
CID 2994198
N-(3-nitrophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 1311598
2-(3,5-dimethylphenoxy)-N-(3-nitrophenyl)acetamide
CID 926852
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)acetamide
CID 690203
[2-(3-nitroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633461
(Z)-2-cyano-3-[3,5-dichloro-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]phenyl]-N-(3-nitrophenyl)prop-2-enamide
CID 126272541
[2-(3-nitroanilino)-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 18288310
N-(3-acetylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 2513244
N-(3-chloro-2-methylphenyl)-2-(3-nitrophenoxy)acetamide
CID 7865374
[2-(3-nitroanilino)-2-oxoethyl] 2,5-dichlorobenzoate
CID 2466637
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(3-nitrophenyl)acetamide
CID 18872044
N-(3-nitrophenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 7965634

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methylphenoxy)-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-(2-chloro-6-methylphenoxy)-N-(3-nitrophenyl)acetamide (CID 38113149) is 2-(2-chloro-6-methylphenoxy)-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-methylphenoxy)-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-chloro-6-methylphenoxy)-N-(3-nitrophenyl)acetamide is Cc1cccc(Cl)c1OCC(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(2-chloro-6-methylphenoxy)-N-(3-nitrophenyl)acetamide?
The InChIKey is FOTJCCSEHGMWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c1-10-4-2-7-13(16)15(10)22-9-14(19)17-11-5-3-6-12(8-11)18(20)21/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of 2-(2-chloro-6-methylphenoxy)-N-(3-nitrophenyl)acetamide?
2-(2-chloro-6-methylphenoxy)-N-(3-nitrophenyl)acetamide has a molecular weight of 320.73 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methylphenoxy)-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 38113149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).