N-(2-cyclopropylethyl)-2-fluoro-3-(trifluoromethyl)benzamide

C13H13F4NO — CID 79885002

IUPACN-(2-cyclopropylethyl)-2-fluoro-3-(trifluoromethyl)benzamide
SMILESO=C(NCCC1CC1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C13H13F4NO/c14-11-9(2-1-3-10(11)13(15,16)17)12(19)18-7-6-8-4-5-8/h1-3,8H,4-7H2,(H,18,19)
InChIKeyPKSJMTJQJWSAJO-UHFFFAOYSA-N
MW275.24 g/mol
LogP3.37
Rot. Bonds4

About N-(2-cyclopropylethyl)-2-fluoro-3-(trifluoromethyl)benzamide

N-(2-cyclopropylethyl)-2-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 79885002) has the molecular formula C13H13F4NO and a molecular weight of 275.24 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-2-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-2-fluoro-3-(trifluoromethyl)benzamide
PubChem CID79885002
Molecular FormulaC13H13F4NO
Molecular Weight275.24 g/mol
Exact Mass275.09
IUPAC NameN-(2-cyclopropylethyl)-2-fluoro-3-(trifluoromethyl)benzamide
SMILESO=C(NCCC1CC1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C13H13F4NO/c14-11-9(2-1-3-10(11)13(15,16)17)12(19)18-7-6-8-4-5-8/h1-3,8H,4-7H2,(H,18,19)
InChIKeyPKSJMTJQJWSAJO-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(carbamoylamino)ethyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885734
N-(2-cyclopropylethyl)-2,3-dihydroxybenzamide
CID 114344475
2-fluoro-N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)benzamide
CID 102685069
2-fluoro-N-(3-hydroxypentyl)-3-(trifluoromethyl)benzamide
CID 115703490
N-[3-(dimethylamino)-3-oxopropyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 79883906
4-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-hydroxybutanoic acid
CID 107832350
2-fluoro-N-(4-hydroxycyclohexyl)-3-(trifluoromethyl)benzamide
CID 79884389
2-fluoro-3-methyl-N-(2-piperidin-4-ylethyl)benzamide
CID 81479636
N-(2-chloroprop-2-enyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 115681898
methyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]acetate
CID 79885001
2-fluoro-N-[(1-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide
CID 103738888
2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide
CID 18696136

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-2-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-cyclopropylethyl)-2-fluoro-3-(trifluoromethyl)benzamide (CID 79885002) is N-(2-cyclopropylethyl)-2-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-cyclopropylethyl)-2-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-cyclopropylethyl)-2-fluoro-3-(trifluoromethyl)benzamide is O=C(NCCC1CC1)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of N-(2-cyclopropylethyl)-2-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is PKSJMTJQJWSAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F4NO/c14-11-9(2-1-3-10(11)13(15,16)17)12(19)18-7-6-8-4-5-8/h1-3,8H,4-7H2,(H,18,19).
What are the key properties of N-(2-cyclopropylethyl)-2-fluoro-3-(trifluoromethyl)benzamide?
N-(2-cyclopropylethyl)-2-fluoro-3-(trifluoromethyl)benzamide has a molecular weight of 275.24 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-2-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 79885002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).