2-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide

C16H19F2NO2 — CID 111471310

IUPAC2-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCC1CCCC1O)C1CC1c1c(F)cccc1F
InChIInChI=1S/C16H19F2NO2/c17-12-4-2-5-13(18)15(12)10-7-11(10)16(21)19-8-9-3-1-6-14(9)20/h2,4-5,9-11,14,20H,1,3,6-8H2,(H,19,21)
InChIKeyJDQVJVMSGYOESE-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.35
Rot. Bonds4

About 2-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide

2-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide (PubChem CID 111471310) has the molecular formula C16H19F2NO2 and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide
PubChem CID111471310
Molecular FormulaC16H19F2NO2
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name2-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCC1CCCC1O)C1CC1c1c(F)cccc1F
InChIInChI=1S/C16H19F2NO2/c17-12-4-2-5-13(18)15(12)10-7-11(10)16(21)19-8-9-3-1-6-14(9)20/h2,4-5,9-11,14,20H,1,3,6-8H2,(H,19,21)
InChIKeyJDQVJVMSGYOESE-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 119602374
N-[2-(aminomethyl)cyclopentyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119602373
N-[(2-hydroxycyclopentyl)methyl]-2-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 111464372
trans-(1S,2S)-2-(2,6-difluorophenyl)-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide
CID 97010636
N-[2-(cycloheptylamino)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 119620062
3-[[(1S,2S)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704672
trans-(1R,2R)-N-(cyclobutylmethyl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide
CID 97076598
2-(2,6-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
CID 119431264
N-(2-amino-2-ethylbutyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119641296
3-(2-chloro-6-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide
CID 77125023
N-[2-(4-aminophenyl)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119548350
trans-(1R,2R)-2-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid
CID 93299333

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide (CID 111471310) is 2-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide is O=C(NCC1CCCC1O)C1CC1c1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is JDQVJVMSGYOESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO2/c17-12-4-2-5-13(18)15(12)10-7-11(10)16(21)19-8-9-3-1-6-14(9)20/h2,4-5,9-11,14,20H,1,3,6-8H2,(H,19,21).
What are the key properties of 2-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide?
2-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 295.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 111471310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).