N-[cyano(cyclopropyl)methyl]-3-(trifluoromethyl)benzamide

C13H11F3N2O — CID 63822315

IUPACN-[cyano(cyclopropyl)methyl]-3-(trifluoromethyl)benzamide
SMILESN#CC(NC(=O)c1cccc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C13H11F3N2O/c14-13(15,16)10-3-1-2-9(6-10)12(19)18-11(7-17)8-4-5-8/h1-3,6,8,11H,4-5H2,(H,18,19)
InChIKeyBLNBMVQFEHARHZ-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.74
Rot. Bonds3

About N-[cyano(cyclopropyl)methyl]-3-(trifluoromethyl)benzamide

N-[cyano(cyclopropyl)methyl]-3-(trifluoromethyl)benzamide (PubChem CID 63822315) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is N-[cyano(cyclopropyl)methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[cyano(cyclopropyl)methyl]-3-(trifluoromethyl)benzamide
PubChem CID63822315
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC NameN-[cyano(cyclopropyl)methyl]-3-(trifluoromethyl)benzamide
SMILESN#CC(NC(=O)c1cccc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C13H11F3N2O/c14-13(15,16)10-3-1-2-9(6-10)12(19)18-11(7-17)8-4-5-8/h1-3,6,8,11H,4-5H2,(H,18,19)
InChIKeyBLNBMVQFEHARHZ-UHFFFAOYSA-N
XLogP2.74
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyano(cyclopropyl)methyl]-3-methylsulfonylbenzamide
CID 63822853
N-[cyano(cyclopropyl)methyl]-3,4-difluorobenzamide
CID 63821791
N-[cyano(cyclopropyl)methyl]-4-(trifluoromethoxy)benzamide
CID 115618789
6-bromo-N-[cyano(cyclopropyl)methyl]naphthalene-2-carboxamide
CID 115283322
N-but-3-yn-2-yl-3-(trifluoromethyl)benzamide
CID 114389842
N-benzhydryl-3-(trifluoromethyl)benzamide
CID 3549490
N-(1-amino-2,2,2-trichloroethyl)-3-(trifluoromethyl)benzamide
CID 134118431
N-(diformamidomethyl)-3-(trifluoromethyl)benzamide
CID 11087484
N-[4-(cyclopropanecarbonylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 25275995
(2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 103926700
N-(1-amino-2-methylprop-2-enyl)-3-(trifluoromethyl)benzamide
CID 177013336
N-(1-cyanocyclohexyl)-3-(trifluoromethyl)benzamide
CID 60592180

Frequently Asked Questions

What is the IUPAC name of N-[cyano(cyclopropyl)methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[cyano(cyclopropyl)methyl]-3-(trifluoromethyl)benzamide (CID 63822315) is N-[cyano(cyclopropyl)methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[cyano(cyclopropyl)methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[cyano(cyclopropyl)methyl]-3-(trifluoromethyl)benzamide is N#CC(NC(=O)c1cccc(C(F)(F)F)c1)C1CC1.
What is the InChIKey of N-[cyano(cyclopropyl)methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is BLNBMVQFEHARHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c14-13(15,16)10-3-1-2-9(6-10)12(19)18-11(7-17)8-4-5-8/h1-3,6,8,11H,4-5H2,(H,18,19).
What are the key properties of N-[cyano(cyclopropyl)methyl]-3-(trifluoromethyl)benzamide?
N-[cyano(cyclopropyl)methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 268.24 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(cyclopropyl)methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 63822315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).