4-(3-fluorophenyl)-N-(3-hydroxybutyl)but-3-enamide

C14H18FNO2 — CID 111779537

IUPAC4-(3-fluorophenyl)-N-(3-hydroxybutyl)but-3-enamide
SMILESCC(O)CCNC(=O)CC=Cc1cccc(F)c1
InChIInChI=1S/C14H18FNO2/c1-11(17)8-9-16-14(18)7-3-5-12-4-2-6-13(15)10-12/h2-6,10-11,17H,7-9H2,1H3,(H,16,18)
InChIKeyRPVLZAXYPWSGNR-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.12
Rot. Bonds6

About 4-(3-fluorophenyl)-N-(3-hydroxybutyl)but-3-enamide

4-(3-fluorophenyl)-N-(3-hydroxybutyl)but-3-enamide (PubChem CID 111779537) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-(3-hydroxybutyl)but-3-enamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-(3-hydroxybutyl)but-3-enamide
PubChem CID111779537
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name4-(3-fluorophenyl)-N-(3-hydroxybutyl)but-3-enamide
SMILESCC(O)CCNC(=O)CC=Cc1cccc(F)c1
InChIInChI=1S/C14H18FNO2/c1-11(17)8-9-16-14(18)7-3-5-12-4-2-6-13(15)10-12/h2-6,10-11,17H,7-9H2,1H3,(H,16,18)
InChIKeyRPVLZAXYPWSGNR-UHFFFAOYSA-N
XLogP2.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenyl)-N-(3-hydroxybutyl)prop-2-enamide
CID 77037539
(E)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-4-(3-fluorophenyl)but-3-enamide
CID 111825354
4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)but-3-enamide
CID 111719918
tert-butyl N-[4-(3-fluorophenyl)but-3-enyl]carbamate
CID 170489856
5-(3-fluorophenyl)-N-methylpent-4-en-2-amine
CID 70124830
3-fluoro-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide
CID 107299544
(E)-4-(3-fluorophenyl)-N-[4-(sulfamoylmethyl)phenyl]but-3-enamide
CID 75534307
2-[4-[(E)-4-(3-fluorophenyl)but-3-enoyl]piperazin-1-yl]propanamide
CID 75408302
N-[4-[[(E)-4-(3-fluorophenyl)but-3-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 75534311
(E)-3-(3-fluorophenyl)-N-[2-(4-propan-2-ylphenyl)ethyl]prop-2-enamide
CID 7916981
(2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol
CID 96500370
(2S)-4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butan-2-ol
CID 96787699

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-(3-hydroxybutyl)but-3-enamide?
The IUPAC name of 4-(3-fluorophenyl)-N-(3-hydroxybutyl)but-3-enamide (CID 111779537) is 4-(3-fluorophenyl)-N-(3-hydroxybutyl)but-3-enamide.
What is the SMILES notation for 4-(3-fluorophenyl)-N-(3-hydroxybutyl)but-3-enamide?
The canonical SMILES for 4-(3-fluorophenyl)-N-(3-hydroxybutyl)but-3-enamide is CC(O)CCNC(=O)CC=Cc1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-N-(3-hydroxybutyl)but-3-enamide?
The InChIKey is RPVLZAXYPWSGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-11(17)8-9-16-14(18)7-3-5-12-4-2-6-13(15)10-12/h2-6,10-11,17H,7-9H2,1H3,(H,16,18).
What are the key properties of 4-(3-fluorophenyl)-N-(3-hydroxybutyl)but-3-enamide?
4-(3-fluorophenyl)-N-(3-hydroxybutyl)but-3-enamide has a molecular weight of 251.30 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-(3-hydroxybutyl)but-3-enamide is sourced from PubChem (CID 111779537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).