2-(2-chloro-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide

C16H16ClN3O4 — CID 9099396

IUPAC2-(2-chloro-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccc(C)cc1Cl
InChIInChI=1S/C16H16ClN3O4/c1-10-3-5-13(12(17)7-10)18-9-16(21)19-14-8-11(20(22)23)4-6-15(14)24-2/h3-8,18H,9H2,1-2H3,(H,19,21)
InChIKeyWWBRIWBJIAMTAY-UHFFFAOYSA-N
MW349.77 g/mol
LogP3.62
Rot. Bonds6

About 2-(2-chloro-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide

2-(2-chloro-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide (PubChem CID 9099396) has the molecular formula C16H16ClN3O4 and a molecular weight of 349.77 g/mol. Its IUPAC name is 2-(2-chloro-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
PubChem CID9099396
Molecular FormulaC16H16ClN3O4
Molecular Weight349.77 g/mol
Exact Mass349.08
IUPAC Name2-(2-chloro-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccc(C)cc1Cl
InChIInChI=1S/C16H16ClN3O4/c1-10-3-5-13(12(17)7-10)18-9-16(21)19-14-8-11(20(22)23)4-6-15(14)24-2/h3-8,18H,9H2,1-2H3,(H,19,21)
InChIKeyWWBRIWBJIAMTAY-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'}

Analyze 2-(2-chloro-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9081065
N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide
CID 9079826
2-(4-bromo-2-chloroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 33169745
2-(2,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 26417516
2-(4-bromoanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 7535590
N-(3,5-dichlorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide
CID 9079831
2-(2,3-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9080810
2-(4-chloro-2-fluoroanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 4786705
2-(4-fluoroanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9098658
N-(2-chloro-5-nitrophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 17359240
N-(2-chloro-4-methylphenyl)-2-(4-methyl-2-nitroanilino)acetamide
CID 133389417
3-(2-methoxy-5-nitroanilino)-3-oxopropanoic acid
CID 62230736

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide?
The IUPAC name of 2-(2-chloro-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide (CID 9099396) is 2-(2-chloro-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide is COc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccc(C)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide?
The InChIKey is WWBRIWBJIAMTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4/c1-10-3-5-13(12(17)7-10)18-9-16(21)19-14-8-11(20(22)23)4-6-15(14)24-2/h3-8,18H,9H2,1-2H3,(H,19,21).
What are the key properties of 2-(2-chloro-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide?
2-(2-chloro-4-methylanilino)-N-(2-methoxy-5-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-chloro-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide is sourced from PubChem (CID 9099396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).