2-(3,4-difluoroanilino)-N-(3-ethylphenyl)acetamide

C16H16F2N2O — CID 112799800

IUPAC2-(3,4-difluoroanilino)-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CNc2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H16F2N2O/c1-2-11-4-3-5-13(8-11)20-16(21)10-19-12-6-7-14(17)15(18)9-12/h3-9,19H,2,10H2,1H3,(H,20,21)
InChIKeyLSVKYHXLQMMGQG-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.58
Rot. Bonds5

About 2-(3,4-difluoroanilino)-N-(3-ethylphenyl)acetamide

2-(3,4-difluoroanilino)-N-(3-ethylphenyl)acetamide (PubChem CID 112799800) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-(3,4-difluoroanilino)-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-difluoroanilino)-N-(3-ethylphenyl)acetamide
PubChem CID112799800
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name2-(3,4-difluoroanilino)-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CNc2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H16F2N2O/c1-2-11-4-3-5-13(8-11)20-16(21)10-19-12-6-7-14(17)15(18)9-12/h3-9,19H,2,10H2,1H3,(H,20,21)
InChIKeyLSVKYHXLQMMGQG-UHFFFAOYSA-N
XLogP3.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethylanilino)-N-(2-fluorophenyl)acetamide
CID 28584361
N-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409925
2-(4-chloroanilino)-N-(3,4-difluorophenyl)acetamide
CID 9098972
N-(3,4-difluorophenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide
CID 9084347
4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-N-[(2-fluorophenyl)methyl]benzamide
CID 55896904
2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 108997018
3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide
CID 109034228
N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009628
2-(3-ethylanilino)-N-propan-2-ylacetamide
CID 28584308
2-(3-acetylanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9099428
N-(3,4-difluorophenyl)propanamide
CID 4285365
N-(4-chloro-2-methylphenyl)-2-(3,4-difluoroanilino)acetamide
CID 109008626

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoroanilino)-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-(3,4-difluoroanilino)-N-(3-ethylphenyl)acetamide (CID 112799800) is 2-(3,4-difluoroanilino)-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-(3,4-difluoroanilino)-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-(3,4-difluoroanilino)-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)CNc2ccc(F)c(F)c2)c1.
What is the InChIKey of 2-(3,4-difluoroanilino)-N-(3-ethylphenyl)acetamide?
The InChIKey is LSVKYHXLQMMGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-2-11-4-3-5-13(8-11)20-16(21)10-19-12-6-7-14(17)15(18)9-12/h3-9,19H,2,10H2,1H3,(H,20,21).
What are the key properties of 2-(3,4-difluoroanilino)-N-(3-ethylphenyl)acetamide?
2-(3,4-difluoroanilino)-N-(3-ethylphenyl)acetamide has a molecular weight of 290.31 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoroanilino)-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 112799800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).