(E)-3-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylprop-2-enamide

C16H19F2NO2 — CID 109399846

IUPAC(E)-3-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylprop-2-enamide
SMILESCN(CC1CCCC1O)C(=O)/C=C/c1c(F)cccc1F
InChIInChI=1S/C16H19F2NO2/c1-19(10-11-4-2-7-15(11)20)16(21)9-8-12-13(17)5-3-6-14(12)18/h3,5-6,8-9,11,15,20H,2,4,7,10H2,1H3/b9-8+
InChIKeyZKXCVOCKIUGCNV-CMDGGOBGSA-N
MW295.33 g/mol
LogP2.60
Rot. Bonds4

About (E)-3-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylprop-2-enamide

(E)-3-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylprop-2-enamide (PubChem CID 109399846) has the molecular formula C16H19F2NO2 and a molecular weight of 295.33 g/mol. Its IUPAC name is (E)-3-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylprop-2-enamide
PubChem CID109399846
Molecular FormulaC16H19F2NO2
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name(E)-3-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylprop-2-enamide
SMILESCN(CC1CCCC1O)C(=O)/C=C/c1c(F)cccc1F
InChIInChI=1S/C16H19F2NO2/c1-19(10-11-4-2-7-15(11)20)16(21)9-8-12-13(17)5-3-6-14(12)18/h3,5-6,8-9,11,15,20H,2,4,7,10H2,1H3/b9-8+
InChIKeyZKXCVOCKIUGCNV-CMDGGOBGSA-N
XLogP2.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.60
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

(Z)-3-(3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbut-2-enamide
CID 109400129
3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109395391
cis-(1S,2R)-2-[[(2,6-difluorophenyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 124515968
cis-(1R,2S)-2-[[(2,6-difluorophenyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 125136229
3-(2-chloro-6-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide
CID 77125023
(E)-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)prop-2-enamide
CID 110003942
1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylpyrazole-4-carboxamide
CID 109400380
3-[1-(2,3-difluorophenyl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 86784726
N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-methylphenyl)oxamide
CID 109399042
1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethylpyrazole-4-carboxamide
CID 109399843
3-[(2,5-difluorophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398607
3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109397117

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylprop-2-enamide (CID 109399846) is (E)-3-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylprop-2-enamide is CN(CC1CCCC1O)C(=O)/C=C/c1c(F)cccc1F.
What is the InChIKey of (E)-3-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylprop-2-enamide?
The InChIKey is ZKXCVOCKIUGCNV-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H19F2NO2/c1-19(10-11-4-2-7-15(11)20)16(21)9-8-12-13(17)5-3-6-14(12)18/h3,5-6,8-9,11,15,20H,2,4,7,10H2,1H3/b9-8+.
What are the key properties of (E)-3-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylprop-2-enamide?
(E)-3-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylprop-2-enamide has a molecular weight of 295.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylprop-2-enamide is sourced from PubChem (CID 109399846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).