2-(2,5-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclopropane-1-carboxamide

C15H17F2NO2 — CID 111539652

IUPAC2-(2,5-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCC1(O)CCC1)C1CC1c1cc(F)ccc1F
InChIInChI=1S/C15H17F2NO2/c16-9-2-3-13(17)11(6-9)10-7-12(10)14(19)18-8-15(20)4-1-5-15/h2-3,6,10,12,20H,1,4-5,7-8H2,(H,18,19)
InChIKeyPEQDLROMGGCVLT-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.10
Rot. Bonds4

About 2-(2,5-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclopropane-1-carboxamide

2-(2,5-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclopropane-1-carboxamide (PubChem CID 111539652) has the molecular formula C15H17F2NO2 and a molecular weight of 281.30 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclopropane-1-carboxamide
PubChem CID111539652
Molecular FormulaC15H17F2NO2
Molecular Weight281.30 g/mol
Exact Mass281.12
IUPAC Name2-(2,5-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCC1(O)CCC1)C1CC1c1cc(F)ccc1F
InChIInChI=1S/C15H17F2NO2/c16-9-2-3-13(17)11(6-9)10-7-12(10)14(19)18-8-15(20)4-1-5-15/h2-3,6,10,12,20H,1,4-5,7-8H2,(H,18,19)
InChIKeyPEQDLROMGGCVLT-UHFFFAOYSA-N
XLogP2.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
CID 97076783
4-[[[(1R,2R)-2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide
CID 95776553
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-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 120947077
trans-(1R,2R)-2-(2,5-difluorophenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
CID 95782949
trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
CID 129348570
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
cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 97076812
2-(2,5-difluorophenyl)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopropane-1-carboxamide
CID 75494414
2-(2,5-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)cyclopropane-1-carboxamide
CID 111478117

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2,5-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclopropane-1-carboxamide (CID 111539652) is 2-(2,5-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,5-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,5-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclopropane-1-carboxamide is O=C(NCC1(O)CCC1)C1CC1c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is PEQDLROMGGCVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO2/c16-9-2-3-13(17)11(6-9)10-7-12(10)14(19)18-8-15(20)4-1-5-15/h2-3,6,10,12,20H,1,4-5,7-8H2,(H,18,19).
What are the key properties of 2-(2,5-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclopropane-1-carboxamide?
2-(2,5-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 281.30 g/mol, XLogP of 2.10, 4 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-[(1-hydroxycyclobutyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 111539652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).