N-[(3,5-difluorophenyl)methyl]-N-methyl-1-(trifluoromethyl)cyclopropane-1-carboxamide

C13H12F5NO — CID 143468788

IUPACN-[(3,5-difluorophenyl)methyl]-N-methyl-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCN(Cc1cc(F)cc(F)c1)C(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C13H12F5NO/c1-19(7-8-4-9(14)6-10(15)5-8)11(20)12(2-3-12)13(16,17)18/h4-6H,2-3,7H2,1H3
InChIKeyXUJXWOQYTVZAFE-UHFFFAOYSA-N
MW293.24 g/mol
LogP3.27
Rot. Bonds3

About N-[(3,5-difluorophenyl)methyl]-N-methyl-1-(trifluoromethyl)cyclopropane-1-carboxamide

N-[(3,5-difluorophenyl)methyl]-N-methyl-1-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 143468788) has the molecular formula C13H12F5NO and a molecular weight of 293.24 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-N-methyl-1-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-N-methyl-1-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID143468788
Molecular FormulaC13H12F5NO
Molecular Weight293.24 g/mol
Exact Mass293.08
IUPAC NameN-[(3,5-difluorophenyl)methyl]-N-methyl-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCN(Cc1cc(F)cc(F)c1)C(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C13H12F5NO/c1-19(7-8-4-9(14)6-10(15)5-8)11(20)12(2-3-12)13(16,17)18/h4-6H,2-3,7H2,1H3
InChIKeyXUJXWOQYTVZAFE-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(3,5-difluorophenyl)ethyl]-N-methyl-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 143468785
1-amino-N-[(3-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 65466557
1-amino-N-[(4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119268138
1-[(3,5-difluorophenyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 105404636
1-carbamothioyl-N-[(3-fluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 80592624
methyl 1-[(3-fluorophenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylate
CID 115184479
N-benzyl-N-propan-2-yl-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 167757145
1-amino-N-[(3,4-difluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119717238
N-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide
CID 115182311
N-[(3,5-difluorophenyl)methyl]-2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride
CID 142778714
N-[(3-fluorophenyl)methyl]-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115183080
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-N-methylbut-2-ynamide
CID 146101915

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-N-methyl-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-N-methyl-1-(trifluoromethyl)cyclopropane-1-carboxamide (CID 143468788) is N-[(3,5-difluorophenyl)methyl]-N-methyl-1-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-N-methyl-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-N-methyl-1-(trifluoromethyl)cyclopropane-1-carboxamide is CN(Cc1cc(F)cc(F)c1)C(=O)C1(C(F)(F)F)CC1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-N-methyl-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is XUJXWOQYTVZAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F5NO/c1-19(7-8-4-9(14)6-10(15)5-8)11(20)12(2-3-12)13(16,17)18/h4-6H,2-3,7H2,1H3.
What are the key properties of N-[(3,5-difluorophenyl)methyl]-N-methyl-1-(trifluoromethyl)cyclopropane-1-carboxamide?
N-[(3,5-difluorophenyl)methyl]-N-methyl-1-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 293.24 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-N-methyl-1-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 143468788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).