N-[(1R)-1-cyanopropyl]-2-[4-(trifluoromethoxy)phenyl]acetamide

C13H13F3N2O2 — CID 95292371

IUPACN-[(1R)-1-cyanopropyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCC[C@H](C#N)NC(=O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H13F3N2O2/c1-2-10(8-17)18-12(19)7-9-3-5-11(6-4-9)20-13(14,15)16/h3-6,10H,2,7H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyQWDLWUUKXWIULO-SNVBAGLBSA-N
MW286.25 g/mol
LogP2.55
Rot. Bonds5

About N-[(1R)-1-cyanopropyl]-2-[4-(trifluoromethoxy)phenyl]acetamide

N-[(1R)-1-cyanopropyl]-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 95292371) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is N-[(1R)-1-cyanopropyl]-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyanopropyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID95292371
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC NameN-[(1R)-1-cyanopropyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCC[C@H](C#N)NC(=O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H13F3N2O2/c1-2-10(8-17)18-12(19)7-9-3-5-11(6-4-9)20-13(14,15)16/h3-6,10H,2,7H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyQWDLWUUKXWIULO-SNVBAGLBSA-N
XLogP2.55
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-cyanobutyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 95284035
(2S)-2-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]propanoic acid
CID 119238043
(2S)-4-methyl-2-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pentanoic acid
CID 119361872
(2S)-3-methyl-2-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]butanoic acid
CID 119360442
N-(1-cyanopropyl)-2-(3-fluorophenyl)acetamide
CID 61119665
1-methyl-3-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]urea
CID 47384187
3-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-one
CID 59159515
4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-one
CID 62622266
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
3-[[4-(trifluoromethoxy)phenyl]methylamino]pentanoic acid
CID 134162198
N-(1-cyanopropyl)-3,3,3-trifluoropropanamide
CID 61118868
N-(1-cyano-3-methylbutyl)-2-(4-methoxyphenyl)acetamide
CID 112511596

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyanopropyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[(1R)-1-cyanopropyl]-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 95292371) is N-[(1R)-1-cyanopropyl]-2-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[(1R)-1-cyanopropyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[(1R)-1-cyanopropyl]-2-[4-(trifluoromethoxy)phenyl]acetamide is CC[C@H](C#N)NC(=O)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(1R)-1-cyanopropyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is QWDLWUUKXWIULO-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c1-2-10(8-17)18-12(19)7-9-3-5-11(6-4-9)20-13(14,15)16/h3-6,10H,2,7H2,1H3,(H,18,19)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-cyanopropyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
N-[(1R)-1-cyanopropyl]-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 286.25 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyanopropyl]-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 95292371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).