2-(2,5-difluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclopropane-1-carboxamide

C17H23F2NO3 — CID 111697735

IUPAC2-(2,5-difluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclopropane-1-carboxamide
SMILESCC(C)COCC(O)CNC(=O)C1CC1c1cc(F)ccc1F
InChIInChI=1S/C17H23F2NO3/c1-10(2)8-23-9-12(21)7-20-17(22)15-6-13(15)14-5-11(18)3-4-16(14)19/h3-5,10,12-13,15,21H,6-9H2,1-2H3,(H,20,22)
InChIKeyOFAMTDATVQXWAI-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.22
Rot. Bonds8

About 2-(2,5-difluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclopropane-1-carboxamide

2-(2,5-difluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclopropane-1-carboxamide (PubChem CID 111697735) has the molecular formula C17H23F2NO3 and a molecular weight of 327.37 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclopropane-1-carboxamide
PubChem CID111697735
Molecular FormulaC17H23F2NO3
Molecular Weight327.37 g/mol
Exact Mass327.16
IUPAC Name2-(2,5-difluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclopropane-1-carboxamide
SMILESCC(C)COCC(O)CNC(=O)C1CC1c1cc(F)ccc1F
InChIInChI=1S/C17H23F2NO3/c1-10(2)8-23-9-12(21)7-20-17(22)15-6-13(15)14-5-11(18)3-4-16(14)19/h3-5,10,12-13,15,21H,6-9H2,1-2H3,(H,20,22)
InChIKeyOFAMTDATVQXWAI-UHFFFAOYSA-N
XLogP2.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-N-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 96570621
cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
CID 97076783
cis-(1R,2S)-N-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 96570636
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-2,3-dimethylpentyl)cyclopropane-1-carboxamide
CID 111478117
trans-(1S,2S)-N-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 97077272
2-(2,5-difluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 120947077
(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
2-(2,5-difluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride
CID 120811046

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2,5-difluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclopropane-1-carboxamide (CID 111697735) is 2-(2,5-difluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,5-difluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,5-difluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclopropane-1-carboxamide is CC(C)COCC(O)CNC(=O)C1CC1c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclopropane-1-carboxamide?
The InChIKey is OFAMTDATVQXWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO3/c1-10(2)8-23-9-12(21)7-20-17(22)15-6-13(15)14-5-11(18)3-4-16(14)19/h3-5,10,12-13,15,21H,6-9H2,1-2H3,(H,20,22).
What are the key properties of 2-(2,5-difluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclopropane-1-carboxamide?
2-(2,5-difluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclopropane-1-carboxamide has a molecular weight of 327.37 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 111697735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).