2-(2-fluoroanilino)-N-pentan-3-ylacetamide

C13H19FN2O — CID 60671369

IUPAC2-(2-fluoroanilino)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNc1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-3-10(4-2)16-13(17)9-15-12-8-6-5-7-11(12)14/h5-8,10,15H,3-4,9H2,1-2H3,(H,16,17)
InChIKeyAIYVQRSRRTZZDB-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.54
Rot. Bonds6

About 2-(2-fluoroanilino)-N-pentan-3-ylacetamide

2-(2-fluoroanilino)-N-pentan-3-ylacetamide (PubChem CID 60671369) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(2-fluoroanilino)-N-pentan-3-ylacetamide
PubChem CID60671369
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-(2-fluoroanilino)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNc1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-3-10(4-2)16-13(17)9-15-12-8-6-5-7-11(12)14/h5-8,10,15H,3-4,9H2,1-2H3,(H,16,17)
InChIKeyAIYVQRSRRTZZDB-UHFFFAOYSA-N
XLogP2.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2,5-difluoroanilino)-N-pentan-3-ylacetamide
CID 103843112
N-(2-fluorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide
CID 40714989
2-(2-fluorophenyl)sulfonyl-N-pentan-3-ylacetamide
CID 47218676
2-[1-(2-fluorophenyl)ethylamino]-N-pentan-3-ylacetamide
CID 60673244
2-(2-ethylanilino)-N-(2-fluorophenyl)acetamide
CID 9105155
2-fluoro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104981439
1-(1-aminobutan-2-yl)-3-(2-fluorophenyl)urea
CID 63767489
ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate
CID 18929196
ethyl 4-[2-(2-fluoroanilino)acetyl]piperazine-1-carboxylate
CID 109003873
N-(3-chloro-2-methylphenyl)-2-(2-fluoroanilino)acetamide
CID 2604427
2-fluoro-N-(2-methylidenebutyl)aniline
CID 66045449
2-(2,6-dichloroanilino)-N-pentan-3-ylacetamide
CID 65469961

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(2-fluoroanilino)-N-pentan-3-ylacetamide (CID 60671369) is 2-(2-fluoroanilino)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(2-fluoroanilino)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(2-fluoroanilino)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CNc1ccccc1F.
What is the InChIKey of 2-(2-fluoroanilino)-N-pentan-3-ylacetamide?
The InChIKey is AIYVQRSRRTZZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-3-10(4-2)16-13(17)9-15-12-8-6-5-7-11(12)14/h5-8,10,15H,3-4,9H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-fluoroanilino)-N-pentan-3-ylacetamide?
2-(2-fluoroanilino)-N-pentan-3-ylacetamide has a molecular weight of 238.31 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-N-pentan-3-ylacetamide is sourced from PubChem (CID 60671369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).