N-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]prop-2-enamide

C12H14FNO2 — CID 139015337

IUPACN-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC(CO)Cc1cccc(F)c1
InChIInChI=1S/C12H14FNO2/c1-2-12(16)14-11(8-15)7-9-4-3-5-10(13)6-9/h2-6,11,15H,1,7-8H2,(H,14,16)
InChIKeyFMUWVSQQFLSEHT-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.03
Rot. Bonds5

About N-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]prop-2-enamide

N-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]prop-2-enamide (PubChem CID 139015337) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]prop-2-enamide
PubChem CID139015337
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC NameN-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC(CO)Cc1cccc(F)c1
InChIInChI=1S/C12H14FNO2/c1-2-12(16)14-11(8-15)7-9-4-3-5-10(13)6-9/h2-6,11,15H,1,7-8H2,(H,14,16)
InChIKeyFMUWVSQQFLSEHT-UHFFFAOYSA-N
XLogP1.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260610
3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 39086919
3-fluoro-5-[4-[(2R)-3-hydroxy-2-(prop-2-enoylamino)propyl]phenyl]benzamide
CID 155812516
(2R)-2-[[(2R)-3-(3-fluorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 124887788
(2R)-2-[[(2S)-3-(3-fluorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 124887779
1-[(2S)-1-(3-fluorophenyl)propan-2-yl]-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 99856761
(E)-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-oxobut-2-enoic acid
CID 102096307
(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-3-phenylpropan-1-ol
CID 104926148
2-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43419046
3-[1-(3-fluorophenyl)propan-2-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111426948
disodium;2-[(3-fluorophenyl)methyl]propanedioic acid;hydride
CID 174597525
(2S)-4-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-2-methylbutanamide
CID 124848839

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]prop-2-enamide?
The IUPAC name of N-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]prop-2-enamide (CID 139015337) is N-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]prop-2-enamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]prop-2-enamide?
The canonical SMILES for N-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]prop-2-enamide is C=CC(=O)NC(CO)Cc1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]prop-2-enamide?
The InChIKey is FMUWVSQQFLSEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-2-12(16)14-11(8-15)7-9-4-3-5-10(13)6-9/h2-6,11,15H,1,7-8H2,(H,14,16).
What are the key properties of N-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]prop-2-enamide?
N-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]prop-2-enamide has a molecular weight of 223.25 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]prop-2-enamide is sourced from PubChem (CID 139015337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).