2-(3-fluoroanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide

C16H16F2N2O — CID 29450858

IUPAC2-(3-fluoroanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
SMILESCc1cc(CNC(=O)CNc2cccc(F)c2)ccc1F
InChIInChI=1S/C16H16F2N2O/c1-11-7-12(5-6-15(11)18)9-20-16(21)10-19-14-4-2-3-13(17)8-14/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyOGBXGUOAAMLBNX-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.00
Rot. Bonds5

About 2-(3-fluoroanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide

2-(3-fluoroanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide (PubChem CID 29450858) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-fluoroanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
PubChem CID29450858
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name2-(3-fluoroanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
SMILESCc1cc(CNC(=O)CNc2cccc(F)c2)ccc1F
InChIInChI=1S/C16H16F2N2O/c1-11-7-12(5-6-15(11)18)9-20-16(21)10-19-14-4-2-3-13(17)8-14/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyOGBXGUOAAMLBNX-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[N-[(4-fluoro-3-methylphenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-(3-fluorophenyl)acetamide
CID 111854104
2-anilino-N-[(3-fluorophenyl)methyl]acetamide
CID 54927417
2-(3-chloro-2-methylanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 29451919
2-(3-fluoroanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 31665741
2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 108997018
2-(3-fluoroanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 26506345
N-[(4-chlorophenyl)methyl]-2-(3-methylanilino)acetamide
CID 51178267
3-(3-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 109019541
2-anilino-N-[(3-chloro-4-fluorophenyl)methyl]acetamide
CID 62538297
N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 37219418
N-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide
CID 18129844
N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide
CID 9098883

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(3-fluoroanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide (CID 29450858) is 2-(3-fluoroanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-fluoroanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-fluoroanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide is Cc1cc(CNC(=O)CNc2cccc(F)c2)ccc1F.
What is the InChIKey of 2-(3-fluoroanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide?
The InChIKey is OGBXGUOAAMLBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-11-7-12(5-6-15(11)18)9-20-16(21)10-19-14-4-2-3-13(17)8-14/h2-8,19H,9-10H2,1H3,(H,20,21).
What are the key properties of 2-(3-fluoroanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide?
2-(3-fluoroanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide has a molecular weight of 290.31 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 29450858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).