2-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide

C19H21ClN2O3 — CID 113172713

IUPAC2-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(C)cc2C)C(C)=O)cc1Cl
InChIInChI=1S/C19H21ClN2O3/c1-12-5-7-17(13(2)9-12)21-19(24)11-22(14(3)23)15-6-8-18(25-4)16(20)10-15/h5-10H,11H2,1-4H3,(H,21,24)
InChIKeyBKICKUUMBJEFCP-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.96
Rot. Bonds5

About 2-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide

2-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide (PubChem CID 113172713) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide
PubChem CID113172713
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name2-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(C)cc2C)C(C)=O)cc1Cl
InChIInChI=1S/C19H21ClN2O3/c1-12-5-7-17(13(2)9-12)21-19(24)11-22(14(3)23)15-6-8-18(25-4)16(20)10-15/h5-10H,11H2,1-4H3,(H,21,24)
InChIKeyBKICKUUMBJEFCP-UHFFFAOYSA-N
XLogP3.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2-methoxyphenyl)acetamide
CID 113172743
2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113172270
N-(3-acetamidophenyl)-2-(N-acetyl-3-chloro-4-methoxyanilino)acetamide
CID 113172756
2-(3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide
CID 9101796
2-(N-acetyl-3,4-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113174903
2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 113172115
N-(3-chloro-4-methoxyphenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 44999396
2-(N-acetyl-4-methylanilino)-N-(2-methoxyphenyl)acetamide
CID 113167779
2-(N-acetyl-4-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113170654
2-(N-acetyl-3-chloro-4-methoxyanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113172670
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113174112
2-(N-acetyl-2,5-dimethylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113168161

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide (CID 113172713) is 2-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide is COc1ccc(N(CC(=O)Nc2ccc(C)cc2C)C(C)=O)cc1Cl.
What is the InChIKey of 2-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is BKICKUUMBJEFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-12-5-7-17(13(2)9-12)21-19(24)11-22(14(3)23)15-6-8-18(25-4)16(20)10-15/h5-10H,11H2,1-4H3,(H,21,24).
What are the key properties of 2-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide?
2-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 360.84 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 113172713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).