2-(2,5-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)cyclopropane-1-carboxamide

C17H23F2NO2 — CID 111478117

IUPAC2-(2,5-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)cyclopropane-1-carboxamide
SMILESCCC(C)C(C)(O)CNC(=O)C1CC1c1cc(F)ccc1F
InChIInChI=1S/C17H23F2NO2/c1-4-10(2)17(3,22)9-20-16(21)14-8-12(14)13-7-11(18)5-6-15(13)19/h5-7,10,12,14,22H,4,8-9H2,1-3H3,(H,20,21)
InChIKeyXBFIKUXLFZVADP-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.98
Rot. Bonds6

About 2-(2,5-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)cyclopropane-1-carboxamide

2-(2,5-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)cyclopropane-1-carboxamide (PubChem CID 111478117) has the molecular formula C17H23F2NO2 and a molecular weight of 311.37 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)cyclopropane-1-carboxamide
PubChem CID111478117
Molecular FormulaC17H23F2NO2
Molecular Weight311.37 g/mol
Exact Mass311.17
IUPAC Name2-(2,5-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)cyclopropane-1-carboxamide
SMILESCCC(C)C(C)(O)CNC(=O)C1CC1c1cc(F)ccc1F
InChIInChI=1S/C17H23F2NO2/c1-4-10(2)17(3,22)9-20-16(21)14-8-12(14)13-7-11(18)5-6-15(13)19/h5-7,10,12,14,22H,4,8-9H2,1-3H3,(H,20,21)
InChIKeyXBFIKUXLFZVADP-UHFFFAOYSA-N
XLogP2.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119177424
3-[[(1S,2R)-2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704684
2-(2,5-difluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclopropane-1-carboxamide
CID 111697735
cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
CID 97076783
(2R)-2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
CID 119369587
trans-(1R,2R)-2-(2,5-difluorophenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
CID 95782949
2-(2,5-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclopropane-1-carboxamide
CID 111539652
5-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-2-methylbenzamide
CID 111446571
2-(2,5-difluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 120947077
2-(2,5-difluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride
CID 120811046
trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888164
cis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888162

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(2,5-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)cyclopropane-1-carboxamide (CID 111478117) is 2-(2,5-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,5-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,5-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)cyclopropane-1-carboxamide is CCC(C)C(C)(O)CNC(=O)C1CC1c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)cyclopropane-1-carboxamide?
The InChIKey is XBFIKUXLFZVADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO2/c1-4-10(2)17(3,22)9-20-16(21)14-8-12(14)13-7-11(18)5-6-15(13)19/h5-7,10,12,14,22H,4,8-9H2,1-3H3,(H,20,21).
What are the key properties of 2-(2,5-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)cyclopropane-1-carboxamide?
2-(2,5-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)cyclopropane-1-carboxamide has a molecular weight of 311.37 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 111478117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).