2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-4-methylphenyl)acetamide

C19H21ClN2O2 — CID 113168356

IUPAC2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-4-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C)c(Cl)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C19H21ClN2O2/c1-12-6-8-17(9-14(12)3)22(15(4)23)11-19(24)21-16-7-5-13(2)18(20)10-16/h5-10H,11H2,1-4H3,(H,21,24)
InChIKeyNYCRBMQLVSPRFC-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.26
Rot. Bonds4

About 2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-4-methylphenyl)acetamide

2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-4-methylphenyl)acetamide (PubChem CID 113168356) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-4-methylphenyl)acetamide
PubChem CID113168356
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-4-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C)c(Cl)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C19H21ClN2O2/c1-12-6-8-17(9-14(12)3)22(15(4)23)11-19(24)21-16-7-5-13(2)18(20)10-16/h5-10H,11H2,1-4H3,(H,21,24)
InChIKeyNYCRBMQLVSPRFC-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-3,4-difluoroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113181670
2-(N-acetyl-3,4-dimethylanilino)-N-(3,5-dichlorophenyl)acetamide
CID 113168414
2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-fluorophenyl)acetamide
CID 113172264
2-(N-acetyl-3,4-dimethylanilino)-N-(4-fluorophenyl)acetamide
CID 113168349
2-(4-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113175959
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113177048
methyl 4-[[2-(N-acetyl-3-chloro-4-methylanilino)acetyl]amino]benzoate
CID 113172297
2-(N-acetyl-3,5-dimethylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113168527
2-(N-acetyl-2,3-dichloroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113180171
2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113172270
2-(3-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113175802
2-(N-acetyl-3-chloro-4-methylanilino)-N-(3-cyanophenyl)acetamide
CID 113172320

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-4-methylphenyl)acetamide (CID 113168356) is 2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-4-methylphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(C)c(Cl)c1)c1ccc(C)c(C)c1.
What is the InChIKey of 2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-4-methylphenyl)acetamide?
The InChIKey is NYCRBMQLVSPRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-12-6-8-17(9-14(12)3)22(15(4)23)11-19(24)21-16-7-5-13(2)18(20)10-16/h5-10H,11H2,1-4H3,(H,21,24).
What are the key properties of 2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-4-methylphenyl)acetamide?
2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-4-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-3,4-dimethylanilino)-N-(3-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 113168356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).