2-(2,5-difluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide

C15H18F2N2O2 — CID 120947077

IUPAC2-(2,5-difluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCC1CNCC1O)C1CC1c1cc(F)ccc1F
InChIInChI=1S/C15H18F2N2O2/c16-9-1-2-13(17)11(3-9)10-4-12(10)15(21)19-6-8-5-18-7-14(8)20/h1-3,8,10,12,14,18,20H,4-7H2,(H,19,21)
InChIKeyYDUZCBCMZGGQFC-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.76
Rot. Bonds4

About 2-(2,5-difluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide

2-(2,5-difluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 120947077) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
PubChem CID120947077
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name2-(2,5-difluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCC1CNCC1O)C1CC1c1cc(F)ccc1F
InChIInChI=1S/C15H18F2N2O2/c16-9-1-2-13(17)11(3-9)10-4-12(10)15(21)19-6-8-5-18-7-14(8)20/h1-3,8,10,12,14,18,20H,4-7H2,(H,19,21)
InChIKeyYDUZCBCMZGGQFC-UHFFFAOYSA-N
XLogP0.76
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
CID 97076783
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-[(1-hydroxycyclobutyl)methyl]cyclopropane-1-carboxamide
CID 111539652
2-[2-(difluoromethoxy)phenyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 120947138
2-(2,5-difluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120945363
trans-(1R,2R)-2-(2,5-difluorophenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
CID 95782949
2-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide
CID 119462854
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
2,4,6-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944182
2-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119462853

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2,5-difluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide (CID 120947077) is 2-(2,5-difluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,5-difluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,5-difluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide is O=C(NCC1CNCC1O)C1CC1c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is YDUZCBCMZGGQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c16-9-1-2-13(17)11(3-9)10-4-12(10)15(21)19-6-8-5-18-7-14(8)20/h1-3,8,10,12,14,18,20H,4-7H2,(H,19,21).
What are the key properties of 2-(2,5-difluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide?
2-(2,5-difluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 296.32 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 120947077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).