3-(4-fluoroanilino)pentanamide

C11H15FN2O — CID 76725039

IUPAC3-(4-fluoroanilino)pentanamide
SMILESCCC(CC(N)=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H15FN2O/c1-2-9(7-11(13)15)14-10-5-3-8(12)4-6-10/h3-6,9,14H,2,7H2,1H3,(H2,13,15)
InChIKeyTTYPWMMKTZBGID-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.89
Rot. Bonds5

About 3-(4-fluoroanilino)pentanamide

3-(4-fluoroanilino)pentanamide (PubChem CID 76725039) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-(4-fluoroanilino)pentanamide.

Molecular Properties

Compound Name3-(4-fluoroanilino)pentanamide
PubChem CID76725039
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name3-(4-fluoroanilino)pentanamide
SMILESCCC(CC(N)=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H15FN2O/c1-2-9(7-11(13)15)14-10-5-3-8(12)4-6-10/h3-6,9,14H,2,7H2,1H3,(H2,13,15)
InChIKeyTTYPWMMKTZBGID-UHFFFAOYSA-N
XLogP1.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-formylanilino)pentanamide
CID 142935348
3-ethyl-2-(4-fluoroanilino)pentanoic acid
CID 61317713
3-(4-fluorophenyl)-3-(propylamino)propanamide
CID 65235429
4-fluoro-N-octan-3-ylaniline
CID 150524995
methyl (2S)-2-(4-fluoroanilino)propanoate;hydrochloride
CID 70079411
ethyl 2-(4-fluoroanilino)-3-hydroxypropanoate
CID 104711228
2-(4-fluoroanilino)-4,4-dimethylpentanamide
CID 55156388
(2S)-N-(4-fluorophenyl)-2-methylbutanamide
CID 838022
3-[(6-fluoro-3-pyridinyl)amino]butanamide
CID 126988107
ethyl 2-(4-fluoroanilino)-3,3-dimethylbutanoate
CID 61325169
3-(aminomethyl)-N-(4-fluorophenyl)pentanamide
CID 81071989
ethyl (3S)-3-anilinopentanoate
CID 101375253

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoroanilino)pentanamide?
The IUPAC name of 3-(4-fluoroanilino)pentanamide (CID 76725039) is 3-(4-fluoroanilino)pentanamide.
What is the SMILES notation for 3-(4-fluoroanilino)pentanamide?
The canonical SMILES for 3-(4-fluoroanilino)pentanamide is CCC(CC(N)=O)Nc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluoroanilino)pentanamide?
The InChIKey is TTYPWMMKTZBGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-2-9(7-11(13)15)14-10-5-3-8(12)4-6-10/h3-6,9,14H,2,7H2,1H3,(H2,13,15).
What are the key properties of 3-(4-fluoroanilino)pentanamide?
3-(4-fluoroanilino)pentanamide has a molecular weight of 210.25 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoroanilino)pentanamide is sourced from PubChem (CID 76725039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).