N-(2-cyanoethyl)-N-cyclopropyl-4-(trifluoromethoxy)benzamide

C14H13F3N2O2 — CID 115592849

IUPACN-(2-cyanoethyl)-N-cyclopropyl-4-(trifluoromethoxy)benzamide
SMILESN#CCCN(C(=O)c1ccc(OC(F)(F)F)cc1)C1CC1
InChIInChI=1S/C14H13F3N2O2/c15-14(16,17)21-12-6-2-10(3-7-12)13(20)19(9-1-8-18)11-4-5-11/h2-3,6-7,11H,1,4-5,9H2
InChIKeyCLPCWIKKLJODMP-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.10
Rot. Bonds5

About N-(2-cyanoethyl)-N-cyclopropyl-4-(trifluoromethoxy)benzamide

N-(2-cyanoethyl)-N-cyclopropyl-4-(trifluoromethoxy)benzamide (PubChem CID 115592849) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropyl-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropyl-4-(trifluoromethoxy)benzamide
PubChem CID115592849
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC NameN-(2-cyanoethyl)-N-cyclopropyl-4-(trifluoromethoxy)benzamide
SMILESN#CCCN(C(=O)c1ccc(OC(F)(F)F)cc1)C1CC1
InChIInChI=1S/C14H13F3N2O2/c15-14(16,17)21-12-6-2-10(3-7-12)13(20)19(9-1-8-18)11-4-5-11/h2-3,6-7,11H,1,4-5,9H2
InChIKeyCLPCWIKKLJODMP-UHFFFAOYSA-N
XLogP3.10
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyanomethyl)-N-cyclopropyl-4-(trifluoromethoxy)benzamide
CID 51093391
N-(2-cyanoethyl)-N-cyclopropyl-4-(dimethylamino)benzamide
CID 54997505
N-(2-cyanoethyl)-N-cyclopropylpyridazine-4-carboxamide
CID 112702167
6-[2-cyanoethyl(cyclopropyl)carbamoyl]pyridine-3-carboxylic acid
CID 54997229
N-(2-cyanoethyl)-N-cyclopropyl-3-methoxy-4-methylbenzamide
CID 54982144
N-(2-cyanoethyl)-N-cyclopropyl-3-propan-2-yloxybenzamide
CID 62919298
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide
CID 33078482
N-(2-cyanoethyl)-N-cyclopropyl-5-methylfuran-3-carboxamide
CID 114820604
N-(2-cyanoethyl)-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998615
N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide
CID 32588865
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-4-(trifluoromethoxy)benzamide
CID 8001866
N-cycloheptyl-N-methyl-4-(trifluoromethoxy)benzamide
CID 55469129

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-4-(trifluoromethoxy)benzamide (CID 115592849) is N-(2-cyanoethyl)-N-cyclopropyl-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropyl-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropyl-4-(trifluoromethoxy)benzamide is N#CCCN(C(=O)c1ccc(OC(F)(F)F)cc1)C1CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropyl-4-(trifluoromethoxy)benzamide?
The InChIKey is CLPCWIKKLJODMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c15-14(16,17)21-12-6-2-10(3-7-12)13(20)19(9-1-8-18)11-4-5-11/h2-3,6-7,11H,1,4-5,9H2.
What are the key properties of N-(2-cyanoethyl)-N-cyclopropyl-4-(trifluoromethoxy)benzamide?
N-(2-cyanoethyl)-N-cyclopropyl-4-(trifluoromethoxy)benzamide has a molecular weight of 298.26 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-cyclopropyl-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 115592849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).