2-(N-acetyl-2,5-dimethylanilino)-N-(4-chloro-2-methylphenyl)acetamide

C19H21ClN2O2 — CID 113168161

IUPAC2-(N-acetyl-2,5-dimethylanilino)-N-(4-chloro-2-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(Cl)cc1C)c1cc(C)ccc1C
InChIInChI=1S/C19H21ClN2O2/c1-12-5-6-13(2)18(9-12)22(15(4)23)11-19(24)21-17-8-7-16(20)10-14(17)3/h5-10H,11H2,1-4H3,(H,21,24)
InChIKeyXHEGWKHRKDIITJ-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.26
Rot. Bonds4

About 2-(N-acetyl-2,5-dimethylanilino)-N-(4-chloro-2-methylphenyl)acetamide

2-(N-acetyl-2,5-dimethylanilino)-N-(4-chloro-2-methylphenyl)acetamide (PubChem CID 113168161) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-(N-acetyl-2,5-dimethylanilino)-N-(4-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,5-dimethylanilino)-N-(4-chloro-2-methylphenyl)acetamide
PubChem CID113168161
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-(N-acetyl-2,5-dimethylanilino)-N-(4-chloro-2-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(Cl)cc1C)c1cc(C)ccc1C
InChIInChI=1S/C19H21ClN2O2/c1-12-5-6-13(2)18(9-12)22(15(4)23)11-19(24)21-17-8-7-16(20)10-14(17)3/h5-10H,11H2,1-4H3,(H,21,24)
InChIKeyXHEGWKHRKDIITJ-UHFFFAOYSA-N
XLogP4.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113172103
2-(N-acetyl-2,5-dimethylanilino)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 113168215
2-(N-acetyl-5-chloro-2-methylanilino)-N-(4-methylphenyl)acetamide
CID 113171908
2-(N-acetyl-2,5-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113168163
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113127884
2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113172270
2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methylphenyl)acetamide
CID 113172073
2-(N-acetyl-5-chloro-2-methylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113171939
2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 113172115
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(4-chloro-2-methylphenyl)acetamide
CID 113175063
2-(N-acetyl-4-bromoanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113173001
3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113127907

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,5-dimethylanilino)-N-(4-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2,5-dimethylanilino)-N-(4-chloro-2-methylphenyl)acetamide (CID 113168161) is 2-(N-acetyl-2,5-dimethylanilino)-N-(4-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2,5-dimethylanilino)-N-(4-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2,5-dimethylanilino)-N-(4-chloro-2-methylphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(Cl)cc1C)c1cc(C)ccc1C.
What is the InChIKey of 2-(N-acetyl-2,5-dimethylanilino)-N-(4-chloro-2-methylphenyl)acetamide?
The InChIKey is XHEGWKHRKDIITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-12-5-6-13(2)18(9-12)22(15(4)23)11-19(24)21-17-8-7-16(20)10-14(17)3/h5-10H,11H2,1-4H3,(H,21,24).
What are the key properties of 2-(N-acetyl-2,5-dimethylanilino)-N-(4-chloro-2-methylphenyl)acetamide?
2-(N-acetyl-2,5-dimethylanilino)-N-(4-chloro-2-methylphenyl)acetamide has a molecular weight of 344.84 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,5-dimethylanilino)-N-(4-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 113168161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).