3-(3-fluorophenyl)-N-[(3-hydroxycyclobutyl)methyl]prop-2-enamide

C14H16FNO2 — CID 77111150

IUPAC3-(3-fluorophenyl)-N-[(3-hydroxycyclobutyl)methyl]prop-2-enamide
SMILESO=C(C=Cc1cccc(F)c1)NCC1CC(O)C1
InChIInChI=1S/C14H16FNO2/c15-12-3-1-2-10(6-12)4-5-14(18)16-9-11-7-13(17)8-11/h1-6,11,13,17H,7-9H2,(H,16,18)
InChIKeyLMZXUZVCGRRUHR-UHFFFAOYSA-N
MW249.28 g/mol
LogP1.73
Rot. Bonds4

About 3-(3-fluorophenyl)-N-[(3-hydroxycyclobutyl)methyl]prop-2-enamide

3-(3-fluorophenyl)-N-[(3-hydroxycyclobutyl)methyl]prop-2-enamide (PubChem CID 77111150) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[(3-hydroxycyclobutyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[(3-hydroxycyclobutyl)methyl]prop-2-enamide
PubChem CID77111150
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name3-(3-fluorophenyl)-N-[(3-hydroxycyclobutyl)methyl]prop-2-enamide
SMILESO=C(C=Cc1cccc(F)c1)NCC1CC(O)C1
InChIInChI=1S/C14H16FNO2/c15-12-3-1-2-10(6-12)4-5-14(18)16-9-11-7-13(17)8-11/h1-6,11,13,17H,7-9H2,(H,16,18)
InChIKeyLMZXUZVCGRRUHR-UHFFFAOYSA-N
XLogP1.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 51.73
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-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide
CID 74880395
(E)-3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide
CID 43389280
N-(2-amino-2-oxoethyl)-3-(3-fluorophenyl)prop-2-enamide
CID 78911945
3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66005334
4-[3-[(3-hydroxycyclobutyl)methylamino]-3-oxoprop-1-enyl]benzamide
CID 77109915
(E)-N'-[2-(1-adamantyl)acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide
CID 7917923
(E)-N-(2,2-difluoro-3-hydroxypropyl)-3-(3-fluorophenyl)prop-2-enamide
CID 104857440
3-(5-fluoro-3-pyridinyl)-N-[(3-hydroxycyclohexyl)methyl]prop-2-enamide
CID 111460349
[3-[4-[[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]methyl]piperidine-1-carbonyl]phenyl] acetate
CID 108927338
(E)-3-(3-fluorophenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide
CID 108932618
3-(3-fluorophenyl)-N-(3-hydroxybutyl)prop-2-enamide
CID 77037539
(E)-N-(1-adamantyl)-3-(3-fluorophenyl)prop-2-enamide
CID 7732530

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[(3-hydroxycyclobutyl)methyl]prop-2-enamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[(3-hydroxycyclobutyl)methyl]prop-2-enamide (CID 77111150) is 3-(3-fluorophenyl)-N-[(3-hydroxycyclobutyl)methyl]prop-2-enamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[(3-hydroxycyclobutyl)methyl]prop-2-enamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[(3-hydroxycyclobutyl)methyl]prop-2-enamide is O=C(C=Cc1cccc(F)c1)NCC1CC(O)C1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[(3-hydroxycyclobutyl)methyl]prop-2-enamide?
The InChIKey is LMZXUZVCGRRUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c15-12-3-1-2-10(6-12)4-5-14(18)16-9-11-7-13(17)8-11/h1-6,11,13,17H,7-9H2,(H,16,18).
What are the key properties of 3-(3-fluorophenyl)-N-[(3-hydroxycyclobutyl)methyl]prop-2-enamide?
3-(3-fluorophenyl)-N-[(3-hydroxycyclobutyl)methyl]prop-2-enamide has a molecular weight of 249.28 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[(3-hydroxycyclobutyl)methyl]prop-2-enamide is sourced from PubChem (CID 77111150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).