N-[cyano(cyclopropyl)methyl]-4-(trifluoromethoxy)benzamide

C13H11F3N2O2 — CID 115618789

IUPACN-[cyano(cyclopropyl)methyl]-4-(trifluoromethoxy)benzamide
SMILESN#CC(NC(=O)c1ccc(OC(F)(F)F)cc1)C1CC1
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)20-10-5-3-9(4-6-10)12(19)18-11(7-17)8-1-2-8/h3-6,8,11H,1-2H2,(H,18,19)
InChIKeyNOYRGSDVKVQJPX-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.62
Rot. Bonds4

About N-[cyano(cyclopropyl)methyl]-4-(trifluoromethoxy)benzamide

N-[cyano(cyclopropyl)methyl]-4-(trifluoromethoxy)benzamide (PubChem CID 115618789) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is N-[cyano(cyclopropyl)methyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[cyano(cyclopropyl)methyl]-4-(trifluoromethoxy)benzamide
PubChem CID115618789
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC NameN-[cyano(cyclopropyl)methyl]-4-(trifluoromethoxy)benzamide
SMILESN#CC(NC(=O)c1ccc(OC(F)(F)F)cc1)C1CC1
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)20-10-5-3-9(4-6-10)12(19)18-11(7-17)8-1-2-8/h3-6,8,11H,1-2H2,(H,18,19)
InChIKeyNOYRGSDVKVQJPX-UHFFFAOYSA-N
XLogP2.62
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyano(cyclopropyl)methyl]-4-methoxybenzamide
CID 63820678
N-[cyano(cyclopropyl)methyl]benzamide
CID 54594318
N-cyclohexyl-4-(trifluoromethoxy)benzamide
CID 53243010
4-(trifluoromethoxy)-N-[8-[[4-(trifluoromethoxy)benzoyl]amino]nonan-2-yl]benzamide
CID 21452885
N-(1-amino-1-sulfanylidenepropan-2-yl)-4-(trifluoromethoxy)benzamide
CID 116628724
N-[(2R)-1-hydroxybutan-2-yl]-4-(trifluoromethoxy)benzamide
CID 103920258
cyclohexyl-[4-(trifluoromethoxy)phenyl]methanone
CID 114962182
N-[cyano(cyclopropyl)methyl]-4-methoxy-3-nitrobenzamide
CID 63821049
methyl 2-[2-[[(R)-cyano(cyclopropyl)methyl]carbamoyl]phenyl]benzoate
CID 99842512
N-[cyano(cyclopropyl)methyl]-3,3,3-trifluoropropanamide
CID 63821426
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
2-(3,6-dihydro-2H-1,4-oxazin-5-yl)-3-oxo-3-[4-(trifluoromethoxy)phenyl]propanenitrile
CID 90913794

Frequently Asked Questions

What is the IUPAC name of N-[cyano(cyclopropyl)methyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[cyano(cyclopropyl)methyl]-4-(trifluoromethoxy)benzamide (CID 115618789) is N-[cyano(cyclopropyl)methyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[cyano(cyclopropyl)methyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[cyano(cyclopropyl)methyl]-4-(trifluoromethoxy)benzamide is N#CC(NC(=O)c1ccc(OC(F)(F)F)cc1)C1CC1.
What is the InChIKey of N-[cyano(cyclopropyl)methyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is NOYRGSDVKVQJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c14-13(15,16)20-10-5-3-9(4-6-10)12(19)18-11(7-17)8-1-2-8/h3-6,8,11H,1-2H2,(H,18,19).
What are the key properties of N-[cyano(cyclopropyl)methyl]-4-(trifluoromethoxy)benzamide?
N-[cyano(cyclopropyl)methyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 284.24 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(cyclopropyl)methyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 115618789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).