(Z)-3-(3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbut-2-enamide

C17H22FNO2 — CID 109400129

IUPAC(Z)-3-(3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbut-2-enamide
SMILESC/C(=C/C(=O)N(C)CC1CCCC1O)c1cccc(F)c1
InChIInChI=1S/C17H22FNO2/c1-12(13-5-3-7-15(18)10-13)9-17(21)19(2)11-14-6-4-8-16(14)20/h3,5,7,9-10,14,16,20H,4,6,8,11H2,1-2H3/b12-9-
InChIKeyMENGFUDKOVXGEC-XFXZXTDPSA-N
MW291.37 g/mol
LogP2.85
Rot. Bonds4

About (Z)-3-(3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbut-2-enamide

(Z)-3-(3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbut-2-enamide (PubChem CID 109400129) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is (Z)-3-(3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbut-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbut-2-enamide
PubChem CID109400129
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC Name(Z)-3-(3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbut-2-enamide
SMILESC/C(=C/C(=O)N(C)CC1CCCC1O)c1cccc(F)c1
InChIInChI=1S/C17H22FNO2/c1-12(13-5-3-7-15(18)10-13)9-17(21)19(2)11-14-6-4-8-16(14)20/h3,5,7,9-10,14,16,20H,4,6,8,11H2,1-2H3/b12-9-
InChIKeyMENGFUDKOVXGEC-XFXZXTDPSA-N
XLogP2.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3S*,4S*)-4-(4-fluorophenyl)-1-(3-methylbut-2-enoyl)piperidin-3-ol
CID 50950840
(E)-3-(3,5-difluorophenyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]prop-2-en-1-one
CID 67540557
3-(3,5-Difluorophenyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]prop-2-en-1-one
CID 67540558
7-[(4-Fluorophenyl)methyl]-10-hydroxy-9-methyl-7-azaspiro[4.5]dec-9-en-8-one
CID 71053159
(E)-3-(3,5-difluorophenyl)-1-[4-(2-hydroxyethyl)piperidin-1-yl]prop-2-en-1-one
CID 88975664
N-(2,4-dimethylpentyl)-3-(2-fluorophenyl)-N-(2-hydroxy-6-methyl-3-sulfanylideneheptan-4-yl)prop-2-enamide
CID 123374628
N-[2-(3-fluorophenyl)ethyl]-8-hydroxy-2,5-dimethyloct-2-enamide
CID 123561191
3-(3,5-Difluorophenyl)-1-[4-(2-hydroxyethyl)piperidin-1-yl]prop-2-en-1-one
CID 123655578
3-(2,4-difluorophenyl)-N-(2,4-dimethylpentyl)-N-(4-ethyl-2-hydroxy-6-methyl-3-sulfanylideneheptan-4-yl)prop-2-enamide
CID 123682050
N-(2,4-dimethylpentyl)-3-(3-fluorophenyl)-N-(2-hydroxy-6-methyl-3-sulfanylideneheptan-4-yl)prop-2-enamide
CID 123966426
3-(3,4-difluorophenyl)-2-hydroxy-1-methyl-2H-pyrrol-5-one
CID 135291096
1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-hydroxy-4-methylpentan-1-one
CID 177042462

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbut-2-enamide?
The IUPAC name of (Z)-3-(3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbut-2-enamide (CID 109400129) is (Z)-3-(3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbut-2-enamide.
What is the SMILES notation for (Z)-3-(3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbut-2-enamide?
The canonical SMILES for (Z)-3-(3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbut-2-enamide is C/C(=C/C(=O)N(C)CC1CCCC1O)c1cccc(F)c1.
What is the InChIKey of (Z)-3-(3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbut-2-enamide?
The InChIKey is MENGFUDKOVXGEC-XFXZXTDPSA-N. The full InChI is InChI=1S/C17H22FNO2/c1-12(13-5-3-7-15(18)10-13)9-17(21)19(2)11-14-6-4-8-16(14)20/h3,5,7,9-10,14,16,20H,4,6,8,11H2,1-2H3/b12-9-.
What are the key properties of (Z)-3-(3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbut-2-enamide?
(Z)-3-(3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbut-2-enamide has a molecular weight of 291.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbut-2-enamide is sourced from PubChem (CID 109400129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).