N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide

C14H15F4NO — CID 74246709

IUPACN-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NCc1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C14H15F4NO/c1-13(2)6-11(13)12(20)19-7-8-5-9(15)3-4-10(8)14(16,17)18/h3-5,11H,6-7H2,1-2H3,(H,19,20)
InChIKeySVDPQQAIFDWCEZ-UHFFFAOYSA-N
MW289.27 g/mol
LogP3.51
Rot. Bonds3

About N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide

N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 74246709) has the molecular formula C14H15F4NO and a molecular weight of 289.27 g/mol. Its IUPAC name is N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID74246709
Molecular FormulaC14H15F4NO
Molecular Weight289.27 g/mol
Exact Mass289.11
IUPAC NameN-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NCc1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C14H15F4NO/c1-13(2)6-11(13)12(20)19-7-8-5-9(15)3-4-10(8)14(16,17)18/h3-5,11H,6-7H2,1-2H3,(H,19,20)
InChIKeySVDPQQAIFDWCEZ-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97197075
3-(2,5-dioxoimidazolidin-4-yl)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 70708571
N-[(2-bromothiophen-3-yl)methyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 131169709
(1S)-N-(5-fluoro-2-methylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 137467542
cis-(1S,3R)-3-[(5-fluoro-2-methoxyphenyl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066120
(2S,4S)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide
CID 128979038
3-[5-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropanoic acid
CID 132990133
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-pentan-3-ylurea
CID 78880942
3-amino-N-[(2,5-difluorophenyl)methyl]cyclobutane-1-carboxamide
CID 115161514
(4R)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51956671
1-butylsulfonyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 166184399
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,5-difluorophenyl)methyl]urea
CID 74224665

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide (CID 74246709) is N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)CC1C(=O)NCc1cc(F)ccc1C(F)(F)F.
What is the InChIKey of N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is SVDPQQAIFDWCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4NO/c1-13(2)6-11(13)12(20)19-7-8-5-9(15)3-4-10(8)14(16,17)18/h3-5,11H,6-7H2,1-2H3,(H,19,20).
What are the key properties of N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide?
N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 289.27 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 74246709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).