2-(2,5-difluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide

C12H13F2NO — CID 126784599

IUPAC2-(2,5-difluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide
SMILESCN(C)C(=O)C1CC1c1cc(F)ccc1F
InChIInChI=1S/C12H13F2NO/c1-15(2)12(16)10-6-8(10)9-5-7(13)3-4-11(9)14/h3-5,8,10H,6H2,1-2H3
InChIKeyRIGXHKDOSIIYQD-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.16
Rot. Bonds2

About 2-(2,5-difluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide

2-(2,5-difluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide (PubChem CID 126784599) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide
PubChem CID126784599
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-(2,5-difluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide
SMILESCN(C)C(=O)C1CC1c1cc(F)ccc1F
InChIInChI=1S/C12H13F2NO/c1-15(2)12(16)10-6-8(10)9-5-7(13)3-4-11(9)14/h3-5,8,10H,6H2,1-2H3
InChIKeyRIGXHKDOSIIYQD-UHFFFAOYSA-N
XLogP2.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 119654154
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
trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
CID 129348570
N-(3-amino-4-methylpentyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119658836
2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193256
(2R)-2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
CID 119369587
[2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 119401469
[2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401468
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide?
The IUPAC name of 2-(2,5-difluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide (CID 126784599) is 2-(2,5-difluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,5-difluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,5-difluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide is CN(C)C(=O)C1CC1c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide?
The InChIKey is RIGXHKDOSIIYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c1-15(2)12(16)10-6-8(10)9-5-7(13)3-4-11(9)14/h3-5,8,10H,6H2,1-2H3.
What are the key properties of 2-(2,5-difluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide?
2-(2,5-difluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide has a molecular weight of 225.24 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 126784599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).