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

C17H15ClF2N2O2 — CID 113181670

IUPAC2-(N-acetyl-3,4-difluoroanilino)-N-(3-chloro-4-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C)c(Cl)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H15ClF2N2O2/c1-10-3-4-12(7-14(10)18)21-17(24)9-22(11(2)23)13-5-6-15(19)16(20)8-13/h3-8H,9H2,1-2H3,(H,21,24)
InChIKeyJNLYCUKCNAEFLM-UHFFFAOYSA-N
MW352.77 g/mol
LogP3.92
Rot. Bonds4

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

2-(N-acetyl-3,4-difluoroanilino)-N-(3-chloro-4-methylphenyl)acetamide (PubChem CID 113181670) has the molecular formula C17H15ClF2N2O2 and a molecular weight of 352.77 g/mol. Its IUPAC name is 2-(N-acetyl-3,4-difluoroanilino)-N-(3-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3,4-difluoroanilino)-N-(3-chloro-4-methylphenyl)acetamide
PubChem CID113181670
Molecular FormulaC17H15ClF2N2O2
Molecular Weight352.77 g/mol
Exact Mass352.08
IUPAC Name2-(N-acetyl-3,4-difluoroanilino)-N-(3-chloro-4-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C)c(Cl)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H15ClF2N2O2/c1-10-3-4-12(7-14(10)18)21-17(24)9-22(11(2)23)13-5-6-15(19)16(20)8-13/h3-8H,9H2,1-2H3,(H,21,24)
InChIKeyJNLYCUKCNAEFLM-UHFFFAOYSA-N
XLogP3.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113168356
2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-fluorophenyl)acetamide
CID 113172264
2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113172270
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113177048
2-(N-acetyl-3,4-difluoroanilino)-N-(4-ethylphenyl)acetamide
CID 113181652
2-(3-acetamido-N-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113175826
2-(N-acetyl-2,5-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113168163
methyl 4-[[2-(N-acetyl-3-chloro-4-methylanilino)acetyl]amino]benzoate
CID 113172297
2-(N-acetyl-3,4-difluoroanilino)-N-(4-cyanophenyl)acetamide
CID 113181733
2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113172591
2-(N-acetyl-3,4-dimethylanilino)-N-(4-fluorophenyl)acetamide
CID 113168349
2-(N-acetyl-3,4-dimethylanilino)-N-(3,5-dichlorophenyl)acetamide
CID 113168414

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,4-difluoroanilino)-N-(3-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3,4-difluoroanilino)-N-(3-chloro-4-methylphenyl)acetamide (CID 113181670) is 2-(N-acetyl-3,4-difluoroanilino)-N-(3-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3,4-difluoroanilino)-N-(3-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3,4-difluoroanilino)-N-(3-chloro-4-methylphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(C)c(Cl)c1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(N-acetyl-3,4-difluoroanilino)-N-(3-chloro-4-methylphenyl)acetamide?
The InChIKey is JNLYCUKCNAEFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N2O2/c1-10-3-4-12(7-14(10)18)21-17(24)9-22(11(2)23)13-5-6-15(19)16(20)8-13/h3-8H,9H2,1-2H3,(H,21,24).
What are the key properties of 2-(N-acetyl-3,4-difluoroanilino)-N-(3-chloro-4-methylphenyl)acetamide?
2-(N-acetyl-3,4-difluoroanilino)-N-(3-chloro-4-methylphenyl)acetamide has a molecular weight of 352.77 g/mol, XLogP of 3.92, 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-difluoroanilino)-N-(3-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 113181670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).