2-(2-chloroanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide

C16H16ClN3O4 — CID 9098737

IUPAC2-(2-chloroanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
SMILESCOc1cc(NC(=O)CNc2ccccc2Cl)c(C)cc1[N+](=O)[O-]
InChIInChI=1S/C16H16ClN3O4/c1-10-7-14(20(22)23)15(24-2)8-13(10)19-16(21)9-18-12-6-4-3-5-11(12)17/h3-8,18H,9H2,1-2H3,(H,19,21)
InChIKeyBKMGOMGBQSBZIK-UHFFFAOYSA-N
MW349.77 g/mol
LogP3.62
Rot. Bonds6

About 2-(2-chloroanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide

2-(2-chloroanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide (PubChem CID 9098737) has the molecular formula C16H16ClN3O4 and a molecular weight of 349.77 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
PubChem CID9098737
Molecular FormulaC16H16ClN3O4
Molecular Weight349.77 g/mol
Exact Mass349.08
IUPAC Name2-(2-chloroanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
SMILESCOc1cc(NC(=O)CNc2ccccc2Cl)c(C)cc1[N+](=O)[O-]
InChIInChI=1S/C16H16ClN3O4/c1-10-7-14(20(22)23)15(24-2)8-13(10)19-16(21)9-18-12-6-4-3-5-11(12)17/h3-8,18H,9H2,1-2H3,(H,19,21)
InChIKeyBKMGOMGBQSBZIK-UHFFFAOYSA-N
XLogP3.62
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-fluoro-4-methylanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
CID 9100984
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-phenoxyacetamide
CID 7818239
2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 26416386
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 4005338
N-(2-chlorophenyl)-2-(4-methoxy-2-methylanilino)acetamide
CID 62871342
[2-(tert-butylamino)-2-oxoethyl]-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 8756805
2-(2-bromo-4-methylphenoxy)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
CID 7949272
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 8593263
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 7558414
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 4553049
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2,3-dimethylbenzoate
CID 7968354
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 4879284

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide?
The IUPAC name of 2-(2-chloroanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide (CID 9098737) is 2-(2-chloroanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-chloroanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide is COc1cc(NC(=O)CNc2ccccc2Cl)c(C)cc1[N+](=O)[O-].
What is the InChIKey of 2-(2-chloroanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide?
The InChIKey is BKMGOMGBQSBZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4/c1-10-7-14(20(22)23)15(24-2)8-13(10)19-16(21)9-18-12-6-4-3-5-11(12)17/h3-8,18H,9H2,1-2H3,(H,19,21).
What are the key properties of 2-(2-chloroanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide?
2-(2-chloroanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide has a molecular weight of 349.77 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide is sourced from PubChem (CID 9098737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).