4-(4-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]but-3-enamide

C15H18FNO2 — CID 111594693

IUPAC4-(4-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]but-3-enamide
SMILESO=C(CC=Cc1ccc(F)cc1)NCC1(O)CCC1
InChIInChI=1S/C15H18FNO2/c16-13-7-5-12(6-8-13)3-1-4-14(18)17-11-15(19)9-2-10-15/h1,3,5-8,19H,2,4,9-11H2,(H,17,18)
InChIKeyKBORTFDACCPWRL-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.26
Rot. Bonds5

About 4-(4-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]but-3-enamide

4-(4-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]but-3-enamide (PubChem CID 111594693) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]but-3-enamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]but-3-enamide
PubChem CID111594693
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name4-(4-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]but-3-enamide
SMILESO=C(CC=Cc1ccc(F)cc1)NCC1(O)CCC1
InChIInChI=1S/C15H18FNO2/c16-13-7-5-12(6-8-13)3-1-4-14(18)17-11-15(19)9-2-10-15/h1,3,5-8,19H,2,4,9-11H2,(H,17,18)
InChIKeyKBORTFDACCPWRL-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

3-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 64867195
(E)-4-(4-fluorophenyl)but-3-enamide
CID 101344371
4-(2-fluorophenyl)-N-[(4-hydroxythian-4-yl)methyl]but-3-enamide
CID 111825758
4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)but-3-enamide
CID 111719918
2-(4-fluorophenoxy)-N-[(1-hydroxycyclobutyl)methyl]-2-methylpropanamide
CID 115643394
2-cyclopropyl-2-[[(E)-4-(4-fluorophenyl)but-3-enoyl]amino]acetic acid
CID 119213312
N-[(1-hydroxycycloheptyl)methyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 77056779
1-[4-(4-fluorophenoxy)butyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438037
N-[(1-hydroxycyclobutyl)methyl]-2-(4-hydroxyphenyl)acetamide
CID 115696780
4-formyl-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111446164
1-[cyclobutyl-(4-fluorophenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438682
2-(4-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]butanamide
CID 110427438

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]but-3-enamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]but-3-enamide (CID 111594693) is 4-(4-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]but-3-enamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]but-3-enamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]but-3-enamide is O=C(CC=Cc1ccc(F)cc1)NCC1(O)CCC1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]but-3-enamide?
The InChIKey is KBORTFDACCPWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c16-13-7-5-12(6-8-13)3-1-4-14(18)17-11-15(19)9-2-10-15/h1,3,5-8,19H,2,4,9-11H2,(H,17,18).
What are the key properties of 4-(4-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]but-3-enamide?
4-(4-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]but-3-enamide has a molecular weight of 263.31 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]but-3-enamide is sourced from PubChem (CID 111594693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).