N-(2,2-dimethylcyclopropyl)-2-fluoro-3-(trifluoromethyl)benzamide

C13H13F4NO — CID 79884450

IUPACN-(2,2-dimethylcyclopropyl)-2-fluoro-3-(trifluoromethyl)benzamide
SMILESCC1(C)CC1NC(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C13H13F4NO/c1-12(2)6-9(12)18-11(19)7-4-3-5-8(10(7)14)13(15,16)17/h3-5,9H,6H2,1-2H3,(H,18,19)
InChIKeySNQSZBVYEYTFBH-UHFFFAOYSA-N
MW275.25 g/mol
LogP3.37
Rot. Bonds2

About N-(2,2-dimethylcyclopropyl)-2-fluoro-3-(trifluoromethyl)benzamide

N-(2,2-dimethylcyclopropyl)-2-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 79884450) has the molecular formula C13H13F4NO and a molecular weight of 275.25 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopropyl)-2-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopropyl)-2-fluoro-3-(trifluoromethyl)benzamide
PubChem CID79884450
Molecular FormulaC13H13F4NO
Molecular Weight275.25 g/mol
Exact Mass275.09
IUPAC NameN-(2,2-dimethylcyclopropyl)-2-fluoro-3-(trifluoromethyl)benzamide
SMILESCC1(C)CC1NC(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C13H13F4NO/c1-12(2)6-9(12)18-11(19)7-4-3-5-8(10(7)14)13(15,16)17/h3-5,9H,6H2,1-2H3,(H,18,19)
InChIKeySNQSZBVYEYTFBH-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N-(3-methylcyclobutyl)-3-(trifluoromethyl)benzamide
CID 113252168
2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide
CID 18696136
2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(trifluoromethyl)benzamide
CID 104956750
2-fluoro-N-(4-hydroxycyclohexyl)-3-(trifluoromethyl)benzamide
CID 79884389
N-(2-chlorocyclohexyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 114301247
2-fluoro-N-[(1-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide
CID 103738888
methyl 3-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylate
CID 119048405
N-[2-(aminomethyl)cyclohexyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 119611281
2-fluoro-N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide
CID 82723802
N-(2-cyclopropylethyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885002
2-fluoro-N-(2-methylbut-3-yn-2-yl)-3-(trifluoromethyl)benzamide
CID 79885632
methyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]acetate
CID 79885001

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopropyl)-2-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(2,2-dimethylcyclopropyl)-2-fluoro-3-(trifluoromethyl)benzamide (CID 79884450) is N-(2,2-dimethylcyclopropyl)-2-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2,2-dimethylcyclopropyl)-2-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2,2-dimethylcyclopropyl)-2-fluoro-3-(trifluoromethyl)benzamide is CC1(C)CC1NC(=O)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of N-(2,2-dimethylcyclopropyl)-2-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is SNQSZBVYEYTFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F4NO/c1-12(2)6-9(12)18-11(19)7-4-3-5-8(10(7)14)13(15,16)17/h3-5,9H,6H2,1-2H3,(H,18,19).
What are the key properties of N-(2,2-dimethylcyclopropyl)-2-fluoro-3-(trifluoromethyl)benzamide?
N-(2,2-dimethylcyclopropyl)-2-fluoro-3-(trifluoromethyl)benzamide has a molecular weight of 275.25 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopropyl)-2-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 79884450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).