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

C17H16F2N2O2 — CID 113179006

IUPAC2-(N-acetyl-2,4-difluoroanilino)-N-(3-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(C)c1)c1ccc(F)cc1F
InChIInChI=1S/C17H16F2N2O2/c1-11-4-3-5-14(8-11)20-17(23)10-21(12(2)22)16-7-6-13(18)9-15(16)19/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyOCUYSVAEKHKAQV-UHFFFAOYSA-N
MW318.32 g/mol
LogP3.26
Rot. Bonds4

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

2-(N-acetyl-2,4-difluoroanilino)-N-(3-methylphenyl)acetamide (PubChem CID 113179006) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is 2-(N-acetyl-2,4-difluoroanilino)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,4-difluoroanilino)-N-(3-methylphenyl)acetamide
PubChem CID113179006
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name2-(N-acetyl-2,4-difluoroanilino)-N-(3-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(C)c1)c1ccc(F)cc1F
InChIInChI=1S/C17H16F2N2O2/c1-11-4-3-5-14(8-11)20-17(23)10-21(12(2)22)16-7-6-13(18)9-15(16)19/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyOCUYSVAEKHKAQV-UHFFFAOYSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2,4-difluoroanilino)-N-(3-fluorophenyl)acetamide
CID 113179072
2-(N-acetyl-4-chloro-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 113172074
2-(N-acetyl-2,6-difluoroanilino)-N-(3-methylphenyl)acetamide
CID 113181456
2-(N-acetyl-4-bromo-2-methylanilino)-N-(3-fluorophenyl)acetamide
CID 113178126
2-(N-acetyl-2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 113179083
2-(N-acetyl-2,4-difluoroanilino)-N-(2,6-diethylphenyl)acetamide
CID 113179024
2-(N-acetyl-2,4-dichloroanilino)-N-(3-fluorophenyl)acetamide
CID 113179657
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(3-methylphenyl)acetamide
CID 113175034
2-(N-acetylanilino)-N-(3-methylphenyl)acetamide
CID 113167157
2-(N-acetyl-3,5-dimethylanilino)-N-(3-methylphenyl)acetamide
CID 113168520
3-(N-acetyl-2-fluoroanilino)-N-(3-methylphenyl)propanamide
CID 113126717
N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
CID 2658590

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,4-difluoroanilino)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2,4-difluoroanilino)-N-(3-methylphenyl)acetamide (CID 113179006) is 2-(N-acetyl-2,4-difluoroanilino)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2,4-difluoroanilino)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2,4-difluoroanilino)-N-(3-methylphenyl)acetamide is CC(=O)N(CC(=O)Nc1cccc(C)c1)c1ccc(F)cc1F.
What is the InChIKey of 2-(N-acetyl-2,4-difluoroanilino)-N-(3-methylphenyl)acetamide?
The InChIKey is OCUYSVAEKHKAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c1-11-4-3-5-14(8-11)20-17(23)10-21(12(2)22)16-7-6-13(18)9-15(16)19/h3-9H,10H2,1-2H3,(H,20,23).
What are the key properties of 2-(N-acetyl-2,4-difluoroanilino)-N-(3-methylphenyl)acetamide?
2-(N-acetyl-2,4-difluoroanilino)-N-(3-methylphenyl)acetamide has a molecular weight of 318.32 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,4-difluoroanilino)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 113179006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).