N-[(2S)-2-cyanopropyl]-N-ethyl-4-(trifluoromethoxy)benzamide

C14H15F3N2O2 — CID 94810071

IUPACN-[(2S)-2-cyanopropyl]-N-ethyl-4-(trifluoromethoxy)benzamide
SMILESCCN(C[C@H](C)C#N)C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H15F3N2O2/c1-3-19(9-10(2)8-18)13(20)11-4-6-12(7-5-11)21-14(15,16)17/h4-7,10H,3,9H2,1-2H3/t10-/m1/s1
InChIKeyGGDQXAGHRPJQLL-SNVBAGLBSA-N
MW300.28 g/mol
LogP3.21
Rot. Bonds5

About N-[(2S)-2-cyanopropyl]-N-ethyl-4-(trifluoromethoxy)benzamide

N-[(2S)-2-cyanopropyl]-N-ethyl-4-(trifluoromethoxy)benzamide (PubChem CID 94810071) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is N-[(2S)-2-cyanopropyl]-N-ethyl-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-cyanopropyl]-N-ethyl-4-(trifluoromethoxy)benzamide
PubChem CID94810071
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC NameN-[(2S)-2-cyanopropyl]-N-ethyl-4-(trifluoromethoxy)benzamide
SMILESCCN(C[C@H](C)C#N)C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H15F3N2O2/c1-3-19(9-10(2)8-18)13(20)11-4-6-12(7-5-11)21-14(15,16)17/h4-7,10H,3,9H2,1-2H3/t10-/m1/s1
InChIKeyGGDQXAGHRPJQLL-SNVBAGLBSA-N
XLogP3.21
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanopropyl)-N-ethyl-3,4-dihydroxybenzamide
CID 113358258
N-(2-cyanopropyl)-N-ethyl-4-hydrazinylbenzamide
CID 62248085
6-bromo-N-(2-cyanopropyl)-N-ethylnaphthalene-2-carboxamide
CID 115283254
4-amino-N-(2-cyanopropyl)-N-ethyl-3-methylbenzamide
CID 54906117
N-[7-[ethyl-[4-(trifluoromethoxy)benzoyl]amino]heptyl]-4-(trifluoromethoxy)benzamide
CID 21452931
4-amino-N-(2-cyanopropyl)-N-ethyl-3-methoxybenzamide
CID 104782607
3-amino-4-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 54906116
6-[2-cyanopropyl(ethyl)carbamoyl]pyridine-3-carboxylic acid
CID 54979268
3-bromo-4-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 103841866
N,N-di(propan-2-yl)-4-(trifluoromethoxy)benzamide;ethane
CID 143270772
N-(2-cyanopropyl)-N-ethyl-3-methyl-4-(methylamino)benzamide
CID 63213768
N-(2-cyanopropyl)-N-ethyl-4-fluoro-3-nitrobenzamide
CID 61051908

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyanopropyl]-N-ethyl-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(2S)-2-cyanopropyl]-N-ethyl-4-(trifluoromethoxy)benzamide (CID 94810071) is N-[(2S)-2-cyanopropyl]-N-ethyl-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(2S)-2-cyanopropyl]-N-ethyl-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(2S)-2-cyanopropyl]-N-ethyl-4-(trifluoromethoxy)benzamide is CCN(C[C@H](C)C#N)C(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(2S)-2-cyanopropyl]-N-ethyl-4-(trifluoromethoxy)benzamide?
The InChIKey is GGDQXAGHRPJQLL-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c1-3-19(9-10(2)8-18)13(20)11-4-6-12(7-5-11)21-14(15,16)17/h4-7,10H,3,9H2,1-2H3/t10-/m1/s1.
What are the key properties of N-[(2S)-2-cyanopropyl]-N-ethyl-4-(trifluoromethoxy)benzamide?
N-[(2S)-2-cyanopropyl]-N-ethyl-4-(trifluoromethoxy)benzamide has a molecular weight of 300.28 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyanopropyl]-N-ethyl-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 94810071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).