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

C19H21ClN2O2 — CID 113168353

IUPAC2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-2-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(Cl)c1C)c1ccc(C)c(C)c1
InChIInChI=1S/C19H21ClN2O2/c1-12-8-9-16(10-13(12)2)22(15(4)23)11-19(24)21-18-7-5-6-17(20)14(18)3/h5-10H,11H2,1-4H3,(H,21,24)
InChIKeyHFQSTQLDZVORBJ-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.26
Rot. Bonds4

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

2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-2-methylphenyl)acetamide (PubChem CID 113168353) 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-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-2-methylphenyl)acetamide
PubChem CID113168353
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-2-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(Cl)c1C)c1ccc(C)c(C)c1
InChIInChI=1S/C19H21ClN2O2/c1-12-8-9-16(10-13(12)2)22(15(4)23)11-19(24)21-18-7-5-6-17(20)14(18)3/h5-10H,11H2,1-4H3,(H,21,24)
InChIKeyHFQSTQLDZVORBJ-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-dimethylanilino)-N-(2,3-dichlorophenyl)acetamide
CID 113168416
2-(N-acetyl-3-bromoanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113177953
2-(N-acetyl-3,4-dichloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113179482
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 113178487
2-(N-acetyl-3-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113171767
2-(N-acetyl-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113167376
2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113168356
2-(N-acetyl-3,4-dimethylanilino)-N-(2-cyanophenyl)acetamide
CID 113168421
2-(N-acetyl-3,4-dimethylanilino)-N-(3,5-dichlorophenyl)acetamide
CID 113168414
2-(N-acetyl-3,4-dimethylanilino)-N-(2,6-diethylphenyl)acetamide
CID 113168344
2-(N-acetyl-2-fluoroanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113170822
2-(N-acetyl-4-methylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113167752

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-2-methylphenyl)acetamide (CID 113168353) is 2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-2-methylphenyl)acetamide is CC(=O)N(CC(=O)Nc1cccc(Cl)c1C)c1ccc(C)c(C)c1.
What is the InChIKey of 2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-2-methylphenyl)acetamide?
The InChIKey is HFQSTQLDZVORBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-12-8-9-16(10-13(12)2)22(15(4)23)11-19(24)21-18-7-5-6-17(20)14(18)3/h5-10H,11H2,1-4H3,(H,21,24).
What are the key properties of 2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-2-methylphenyl)acetamide?
2-(N-acetyl-3,4-dimethylanilino)-N-(3-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-3,4-dimethylanilino)-N-(3-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 113168353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).