(E)-3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide

C15H18FNO2 — CID 43389280

IUPAC(E)-3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(F)c1)NC1CCC(O)CC1
InChIInChI=1S/C15H18FNO2/c16-12-3-1-2-11(10-12)4-9-15(19)17-13-5-7-14(18)8-6-13/h1-4,9-10,13-14,18H,5-8H2,(H,17,19)/b9-4+
InChIKeyZPBWKVCJUFJKEX-RUDMXATFSA-N
MW263.31 g/mol
LogP2.26
Rot. Bonds3

About (E)-3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide

(E)-3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide (PubChem CID 43389280) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is (E)-3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide
PubChem CID43389280
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name(E)-3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(F)c1)NC1CCC(O)CC1
InChIInChI=1S/C15H18FNO2/c16-12-3-1-2-11(10-12)4-9-15(19)17-13-5-7-14(18)8-6-13/h1-4,9-10,13-14,18H,5-8H2,(H,17,19)/b9-4+
InChIKeyZPBWKVCJUFJKEX-RUDMXATFSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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-hydroxycyclohexyl)prop-2-enamide
CID 74880395
N-(1-acetylpiperidin-4-yl)-3-(3-fluorophenyl)prop-2-enamide
CID 71901760
(E)-3-(3-chloro-4-fluorophenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide
CID 43388724
3-(3-fluorophenyl)-N-[(3-hydroxycyclobutyl)methyl]prop-2-enamide
CID 77111150
(Z)-3-(3-fluorophenyl)-N-[(1R,3R)-3-methylsulfonylcyclohexyl]prop-2-enamide
CID 100831779
(E)-3-(3-fluorophenyl)-N-(3-methylsulfonylcyclohexyl)prop-2-enamide
CID 75407686
(E)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-fluorophenyl)prop-2-enamide
CID 8590045
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-hydroxycyclohexyl)prop-2-enamide
CID 86932537
N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide
CID 78488507
(E)-3-(1,3-benzodioxol-5-yl)-N-(4-hydroxycyclohexyl)prop-2-enamide
CID 43389294
(E)-3-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103798358
(E)-3-(3-bromophenyl)-N-cyclooctylprop-2-enamide
CID 2684563

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide (CID 43389280) is (E)-3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide is O=C(/C=C/c1cccc(F)c1)NC1CCC(O)CC1.
What is the InChIKey of (E)-3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide?
The InChIKey is ZPBWKVCJUFJKEX-RUDMXATFSA-N. The full InChI is InChI=1S/C15H18FNO2/c16-12-3-1-2-11(10-12)4-9-15(19)17-13-5-7-14(18)8-6-13/h1-4,9-10,13-14,18H,5-8H2,(H,17,19)/b9-4+.
What are the key properties of (E)-3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide?
(E)-3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide has a molecular weight of 263.31 g/mol, XLogP of 2.26, 3 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-(4-hydroxycyclohexyl)prop-2-enamide is sourced from PubChem (CID 43389280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).