N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide

C16H19F2NO2 — CID 111335363

IUPACN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide
SMILESCC(O)(CNC(=O)C1CC=CCC1)c1ccc(F)cc1F
InChIInChI=1S/C16H19F2NO2/c1-16(21,13-8-7-12(17)9-14(13)18)10-19-15(20)11-5-3-2-4-6-11/h2-3,7-9,11,21H,4-6,10H2,1H3,(H,19,20)
InChIKeyXHDWUETWDYTYPG-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.64
Rot. Bonds4

About N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide

N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide (PubChem CID 111335363) has the molecular formula C16H19F2NO2 and a molecular weight of 295.33 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide
PubChem CID111335363
Molecular FormulaC16H19F2NO2
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC NameN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide
SMILESCC(O)(CNC(=O)C1CC=CCC1)c1ccc(F)cc1F
InChIInChI=1S/C16H19F2NO2/c1-16(21,13-8-7-12(17)9-14(13)18)10-19-15(20)11-5-3-2-4-6-11/h2-3,7-9,11,21H,4-6,10H2,1H3,(H,19,20)
InChIKeyXHDWUETWDYTYPG-UHFFFAOYSA-N
XLogP2.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N-[(2S)-2-hydroxy-2-phenylpropyl]cyclohex-3-ene-1-carboxamide
CID 95986212
cis-(1R,2S)-2-[[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125132235
1-(cyclopropylamino)-2-(2,4-difluorophenyl)propan-2-ol
CID 62772825
(1R)-N-[3-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]-2,2-dimethylpropyl]cyclohex-3-ene-1-carboxamide
CID 95621362
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide
CID 111335414
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 111335296
(2S)-N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-propylpyrrolidine-2-carboxamide
CID 96525138
(2R)-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-propylpyrrolidine-2-carboxamide
CID 100861022
(1S)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]cyclohex-3-ene-1-carboxamide
CID 95986113
1-(1-cyclobutylethyl)-3-[2-(2,4-difluorophenyl)-2-hydroxypropyl]urea
CID 109491044
(2S)-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methyl-3-methylsulfanylpropanamide
CID 96549103
2-(4-chlorophenyl)-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]acetamide
CID 111335471

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide (CID 111335363) is N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide is CC(O)(CNC(=O)C1CC=CCC1)c1ccc(F)cc1F.
What is the InChIKey of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is XHDWUETWDYTYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO2/c1-16(21,13-8-7-12(17)9-14(13)18)10-19-15(20)11-5-3-2-4-6-11/h2-3,7-9,11,21H,4-6,10H2,1H3,(H,19,20).
What are the key properties of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide?
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 295.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 111335363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).