2-(2,5-difluorophenyl)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopropane-1-carboxamide

C17H22F2N2O — CID 75494414

IUPAC2-(2,5-difluorophenyl)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopropane-1-carboxamide
SMILESCC1CCCN1CCNC(=O)C1CC1c1cc(F)ccc1F
InChIInChI=1S/C17H22F2N2O/c1-11-3-2-7-21(11)8-6-20-17(22)15-10-13(15)14-9-12(18)4-5-16(14)19/h4-5,9,11,13,15H,2-3,6-8,10H2,1H3,(H,20,22)
InChIKeyLLDLQGCRQHEZQT-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.67
Rot. Bonds5

About 2-(2,5-difluorophenyl)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopropane-1-carboxamide

2-(2,5-difluorophenyl)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 75494414) has the molecular formula C17H22F2N2O and a molecular weight of 308.37 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID75494414
Molecular FormulaC17H22F2N2O
Molecular Weight308.37 g/mol
Exact Mass308.17
IUPAC Name2-(2,5-difluorophenyl)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopropane-1-carboxamide
SMILESCC1CCCN1CCNC(=O)C1CC1c1cc(F)ccc1F
InChIInChI=1S/C17H22F2N2O/c1-11-3-2-7-21(11)8-6-20-17(22)15-10-13(15)14-9-12(18)4-5-16(14)19/h4-5,9,11,13,15H,2-3,6-8,10H2,1H3,(H,20,22)
InChIKeyLLDLQGCRQHEZQT-UHFFFAOYSA-N
XLogP2.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
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
cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
CID 97076783
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-(2,4-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclopropane-1-carboxamide
CID 111433991
(3R)-1-[(1R,2R)-2-(2,5-difluorophenyl)cyclopropanecarbonyl]-N-ethylpiperidine-3-carboxamide
CID 129428796
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-(3-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide
CID 49194889
2-(2,5-difluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 120947077
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-[(1S,2R)-2-(2,5-difluorophenyl)cyclopropyl]methanone
CID 125147004

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2,5-difluorophenyl)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopropane-1-carboxamide (CID 75494414) is 2-(2,5-difluorophenyl)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,5-difluorophenyl)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,5-difluorophenyl)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopropane-1-carboxamide is CC1CCCN1CCNC(=O)C1CC1c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is LLDLQGCRQHEZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O/c1-11-3-2-7-21(11)8-6-20-17(22)15-10-13(15)14-9-12(18)4-5-16(14)19/h4-5,9,11,13,15H,2-3,6-8,10H2,1H3,(H,20,22).
What are the key properties of 2-(2,5-difluorophenyl)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopropane-1-carboxamide?
2-(2,5-difluorophenyl)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 308.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 75494414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).