N-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypentanamide

C13H13F3N2O2 — CID 79192157

IUPACN-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypentanamide
SMILESCC(O)CCC(=O)Nc1ccc(C#N)cc1C(F)(F)F
InChIInChI=1S/C13H13F3N2O2/c1-8(19)2-5-12(20)18-11-4-3-9(7-17)6-10(11)13(14,15)16/h3-4,6,8,19H,2,5H2,1H3,(H,18,20)
InChIKeyMWINJMRWIFXYQB-UHFFFAOYSA-N
MW286.25 g/mol
LogP2.68
Rot. Bonds4

About N-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypentanamide

N-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypentanamide (PubChem CID 79192157) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is N-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypentanamide.

Molecular Properties

Compound NameN-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypentanamide
PubChem CID79192157
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC NameN-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypentanamide
SMILESCC(O)CCC(=O)Nc1ccc(C#N)cc1C(F)(F)F
InChIInChI=1S/C13H13F3N2O2/c1-8(19)2-5-12(20)18-11-4-3-9(7-17)6-10(11)13(14,15)16/h3-4,6,8,19H,2,5H2,1H3,(H,18,20)
InChIKeyMWINJMRWIFXYQB-UHFFFAOYSA-N
XLogP2.68
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-cyano-2-(trifluoromethyl)phenyl]propanamide
CID 60705592
4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]butanamide
CID 43703864
4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-2-methylbutanamide
CID 80543421
N-[4-cyano-2-(trifluoromethyl)phenyl]-2-(methylamino)propanamide
CID 62637842
ethyl N-[4-cyano-2-(trifluoromethyl)phenyl]carbamate
CID 64591088
2-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 76888025
N-(5-cyano-3-fluoro-2-methylphenyl)-4-hydroxypentanamide
CID 79200626
N-[4-cyano-2-(trifluoromethyl)phenyl]propane-2-sulfonamide
CID 64591216
4-(ethylamino)-3-(trifluoromethyl)benzonitrile
CID 43687096
4-(octan-2-ylamino)-3-(trifluoromethyl)benzonitrile
CID 43687065
N-[4-cyano-2-(trifluoromethyl)phenyl]formamide
CID 64992328
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79017846

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypentanamide?
The IUPAC name of N-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypentanamide (CID 79192157) is N-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypentanamide.
What is the SMILES notation for N-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypentanamide?
The canonical SMILES for N-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypentanamide is CC(O)CCC(=O)Nc1ccc(C#N)cc1C(F)(F)F.
What is the InChIKey of N-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypentanamide?
The InChIKey is MWINJMRWIFXYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c1-8(19)2-5-12(20)18-11-4-3-9(7-17)6-10(11)13(14,15)16/h3-4,6,8,19H,2,5H2,1H3,(H,18,20).
What are the key properties of N-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypentanamide?
N-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypentanamide has a molecular weight of 286.25 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypentanamide is sourced from PubChem (CID 79192157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).