N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide

C12H12F3NO — CID 61410101

IUPACN-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(c1ccccc1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H12F3NO/c13-12(14,15)8-16(10-6-7-10)11(17)9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyNUHRXELXGMOGLA-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.85
Rot. Bonds3

About N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide

N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 61410101) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID61410101
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC NameN-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(c1ccccc1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H12F3NO/c13-12(14,15)8-16(10-6-7-10)11(17)9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyNUHRXELXGMOGLA-UHFFFAOYSA-N
XLogP2.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(oxan-4-yl)-4-phenyl-N-(2,2,2-trifluoroethyl)benzamide
CID 90554748
N-[4-[benzoyl(chloromethyl)amino]cyclohexyl]-N-(chloromethyl)benzamide
CID 67251838
N-cyclopropyl-6-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 115497708
N-cyclopropyl-2-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 55010203
4-bromo-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 90554727
N-(2-chloroethyl)-N-cyclopropylbenzamide
CID 63394612
N-cyclopropyl-3-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 167874796
2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid
CID 63614111
4-tert-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 90554705
N-cyclopropyl-N-(2-methylpropyl)benzamide
CID 22118809
N-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 63108556
N-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 78948676

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide (CID 61410101) is N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide is O=C(c1ccccc1)N(CC(F)(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is NUHRXELXGMOGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c13-12(14,15)8-16(10-6-7-10)11(17)9-4-2-1-3-5-9/h1-5,10H,6-8H2.
What are the key properties of N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide?
N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 243.23 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 61410101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).