N-(cyclopropylmethyl)-2-fluoro-6-(trifluoromethyl)benzamide

C12H11F4NO — CID 117063447

IUPACN-(cyclopropylmethyl)-2-fluoro-6-(trifluoromethyl)benzamide
SMILESO=C(NCC1CC1)c1c(F)cccc1C(F)(F)F
InChIInChI=1S/C12H11F4NO/c13-9-3-1-2-8(12(14,15)16)10(9)11(18)17-6-7-4-5-7/h1-3,7H,4-6H2,(H,17,18)
InChIKeyNDQYKIQKOBUSSV-UHFFFAOYSA-N
MW261.22 g/mol
LogP2.98
Rot. Bonds3

About N-(cyclopropylmethyl)-2-fluoro-6-(trifluoromethyl)benzamide

N-(cyclopropylmethyl)-2-fluoro-6-(trifluoromethyl)benzamide (PubChem CID 117063447) has the molecular formula C12H11F4NO and a molecular weight of 261.22 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-fluoro-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-fluoro-6-(trifluoromethyl)benzamide
PubChem CID117063447
Molecular FormulaC12H11F4NO
Molecular Weight261.22 g/mol
Exact Mass261.08
IUPAC NameN-(cyclopropylmethyl)-2-fluoro-6-(trifluoromethyl)benzamide
SMILESO=C(NCC1CC1)c1c(F)cccc1C(F)(F)F
InChIInChI=1S/C12H11F4NO/c13-9-3-1-2-8(12(14,15)16)10(9)11(18)17-6-7-4-5-7/h1-3,7H,4-6H2,(H,17,18)
InChIKeyNDQYKIQKOBUSSV-UHFFFAOYSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide
CID 106124024
2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide
CID 114147976
2-fluoro-N-(2-methylpropyl)-6-(trifluoromethyl)benzamide
CID 83405796
2-bromo-N-(cyclopentylmethyl)-6-fluorobenzamide
CID 115678359
N-[2-(dimethylamino)ethyl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 172648766
N-[(4-aminocyclohexyl)methyl]-2-fluoro-6-methoxybenzamide
CID 106124687
N-(cyclopropylmethyl)-6-[2-fluoro-6-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide
CID 69401436
N-(2-cyclopropylethyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885002
N-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide
CID 114147871
N-(cyclopentylmethyl)-2,3-difluorobenzamide
CID 62649354
N-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660969
2,6-difluoro-N-[(6-methylpiperidin-3-yl)methyl]benzamide
CID 63008866

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-fluoro-6-(trifluoromethyl)benzamide?
The IUPAC name of N-(cyclopropylmethyl)-2-fluoro-6-(trifluoromethyl)benzamide (CID 117063447) is N-(cyclopropylmethyl)-2-fluoro-6-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-fluoro-6-(trifluoromethyl)benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-fluoro-6-(trifluoromethyl)benzamide is O=C(NCC1CC1)c1c(F)cccc1C(F)(F)F.
What is the InChIKey of N-(cyclopropylmethyl)-2-fluoro-6-(trifluoromethyl)benzamide?
The InChIKey is NDQYKIQKOBUSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4NO/c13-9-3-1-2-8(12(14,15)16)10(9)11(18)17-6-7-4-5-7/h1-3,7H,4-6H2,(H,17,18).
What are the key properties of N-(cyclopropylmethyl)-2-fluoro-6-(trifluoromethyl)benzamide?
N-(cyclopropylmethyl)-2-fluoro-6-(trifluoromethyl)benzamide has a molecular weight of 261.22 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-fluoro-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 117063447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).