3-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]but-2-enamide

C15H18FNO2 — CID 111539632

IUPAC3-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]but-2-enamide
SMILESCC(=CC(=O)NCC1(O)CCC1)c1cccc(F)c1
InChIInChI=1S/C15H18FNO2/c1-11(12-4-2-5-13(16)9-12)8-14(18)17-10-15(19)6-3-7-15/h2,4-5,8-9,19H,3,6-7,10H2,1H3,(H,17,18)
InChIKeySUYSDUMBBYJZJL-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.26
Rot. Bonds4

About 3-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]but-2-enamide

3-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]but-2-enamide (PubChem CID 111539632) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]but-2-enamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]but-2-enamide
PubChem CID111539632
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name3-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]but-2-enamide
SMILESCC(=CC(=O)NCC1(O)CCC1)c1cccc(F)c1
InChIInChI=1S/C15H18FNO2/c1-11(12-4-2-5-13(16)9-12)8-14(18)17-10-15(19)6-3-7-15/h2,4-5,8-9,19H,3,6-7,10H2,1H3,(H,17,18)
InChIKeySUYSDUMBBYJZJL-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.26
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-hydroxythian-4-yl)methyl]but-2-enamide
CID 111484871
(Z)-3-(3-fluorophenyl)-N-[3-[(R)-methylsulfinyl]propyl]but-2-enamide
CID 95621354
1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 111445692
(Z)-3-(3-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]but-2-enamide
CID 110022218
(Z)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(3-fluorophenyl)but-2-enamide
CID 86950457
3-(3-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]but-2-enamide
CID 111697749
3-(3-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]butanamide
CID 111485734
(Z)-3-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]but-2-enamide
CID 111481361
1-(3-acetylphenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 51104053
N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 64868051
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-3-methylbenzamide
CID 80711895
3-fluoro-N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]benzamide
CID 111538436

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]but-2-enamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]but-2-enamide (CID 111539632) is 3-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]but-2-enamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]but-2-enamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]but-2-enamide is CC(=CC(=O)NCC1(O)CCC1)c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]but-2-enamide?
The InChIKey is SUYSDUMBBYJZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-11(12-4-2-5-13(16)9-12)8-14(18)17-10-15(19)6-3-7-15/h2,4-5,8-9,19H,3,6-7,10H2,1H3,(H,17,18).
What are the key properties of 3-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]but-2-enamide?
3-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]but-2-enamide has a molecular weight of 263.31 g/mol, XLogP of 2.26, 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-[(1-hydroxycyclobutyl)methyl]but-2-enamide is sourced from PubChem (CID 111539632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).