2-(4-chloro-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide

C16H16ClN3O3 — CID 26507122

IUPAC2-(4-chloro-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCc1cc(Cl)ccc1NCC(=O)Nc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C16H16ClN3O3/c1-10-8-12(17)6-7-13(10)18-9-16(21)19-14-4-3-5-15(11(14)2)20(22)23/h3-8,18H,9H2,1-2H3,(H,19,21)
InChIKeyWUGBSQFIIBIAJT-UHFFFAOYSA-N
MW333.78 g/mol
LogP3.92
Rot. Bonds5

About 2-(4-chloro-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide

2-(4-chloro-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide (PubChem CID 26507122) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is 2-(4-chloro-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
PubChem CID26507122
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Name2-(4-chloro-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCc1cc(Cl)ccc1NCC(=O)Nc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C16H16ClN3O3/c1-10-8-12(17)6-7-13(10)18-9-16(21)19-14-4-3-5-15(11(14)2)20(22)23/h3-8,18H,9H2,1-2H3,(H,19,21)
InChIKeyWUGBSQFIIBIAJT-UHFFFAOYSA-N
XLogP3.92
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 53.92
H-Bond Donors ≤ 52
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-(2,4-dimethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26416516
N-(4-chloro-2-fluorophenyl)-2-(2-methyl-3-nitroanilino)acetamide
CID 9102471
2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 34067918
N-(4-chloro-2-methylphenyl)-2-(2,3-dimethylanilino)acetamide
CID 7636870
2-(4-chloro-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide
CID 9195708
2-anilino-N-(2-methyl-3-nitrophenyl)acetamide
CID 60646897
N-(2-ethylphenyl)-2-(2-methyl-3-nitroanilino)acetamide
CID 26525537
2-(4-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 26507073
N-(3-bromophenyl)-2-(2-methyl-3-nitroanilino)acetamide
CID 9102349
3-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 4111070
2-(2-methoxy-5-nitroanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26415999
methyl 4-methyl-3-[[2-(2-methyl-3-nitroanilino)acetyl]amino]benzoate
CID 26525465

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-(4-chloro-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide (CID 26507122) is 2-(4-chloro-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide is Cc1cc(Cl)ccc1NCC(=O)Nc1cccc([N+](=O)[O-])c1C.
What is the InChIKey of 2-(4-chloro-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide?
The InChIKey is WUGBSQFIIBIAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c1-10-8-12(17)6-7-13(10)18-9-16(21)19-14-4-3-5-15(11(14)2)20(22)23/h3-8,18H,9H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-chloro-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide?
2-(4-chloro-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide has a molecular weight of 333.78 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 26507122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).