(E)-3-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide

C16H20FNO2 — CID 103798358

IUPAC(E)-3-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(F)c1)NC1CCCCC1CO
InChIInChI=1S/C16H20FNO2/c17-14-6-3-4-12(10-14)8-9-16(20)18-15-7-2-1-5-13(15)11-19/h3-4,6,8-10,13,15,19H,1-2,5,7,11H2,(H,18,20)/b9-8+
InChIKeyGZJPEGAHUQPIBX-CMDGGOBGSA-N
MW277.34 g/mol
LogP2.51
Rot. Bonds4

About (E)-3-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide

(E)-3-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide (PubChem CID 103798358) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is (E)-3-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
PubChem CID103798358
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name(E)-3-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(F)c1)NC1CCCCC1CO
InChIInChI=1S/C16H20FNO2/c17-14-6-3-4-12(10-14)8-9-16(20)18-15-7-2-1-5-13(15)11-19/h3-4,6,8-10,13,15,19H,1-2,5,7,11H2,(H,18,20)/b9-8+
InChIKeyGZJPEGAHUQPIBX-CMDGGOBGSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.51
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

(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-phenylprop-2-enamide
CID 103751614
(E)-N-[2-(hydroxymethyl)cyclohexyl]-3-pyridin-3-ylprop-2-enamide
CID 103798326
(E)-3-(4-bromophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103860499
(E)-3-(4-chlorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103798353
(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(4-methylphenyl)prop-2-enamide
CID 103751562
(E)-N-[2-(hydroxymethyl)cyclohexyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 103860266
3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide
CID 74880395
(E)-3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide
CID 43389280
N'-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide
CID 111840919
1-[2-(3-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111630412
(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 103774213
(E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 1334632

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide (CID 103798358) is (E)-3-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide is O=C(/C=C/c1cccc(F)c1)NC1CCCCC1CO.
What is the InChIKey of (E)-3-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide?
The InChIKey is GZJPEGAHUQPIBX-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H20FNO2/c17-14-6-3-4-12(10-14)8-9-16(20)18-15-7-2-1-5-13(15)11-19/h3-4,6,8-10,13,15,19H,1-2,5,7,11H2,(H,18,20)/b9-8+.
What are the key properties of (E)-3-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide?
(E)-3-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide has a molecular weight of 277.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide is sourced from PubChem (CID 103798358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).