N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide

C12H13ClF3NO2 — CID 79017846

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide
SMILESCC(O)CCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H13ClF3NO2/c1-7(18)2-5-11(19)17-8-3-4-10(13)9(6-8)12(14,15)16/h3-4,6-7,18H,2,5H2,1H3,(H,17,19)
InChIKeyJJQZQHWEZRKJHY-UHFFFAOYSA-N
MW295.69 g/mol
LogP3.46
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide (PubChem CID 79017846) has the molecular formula C12H13ClF3NO2 and a molecular weight of 295.69 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide
PubChem CID79017846
Molecular FormulaC12H13ClF3NO2
Molecular Weight295.69 g/mol
Exact Mass295.06
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide
SMILESCC(O)CCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H13ClF3NO2/c1-7(18)2-5-11(19)17-8-3-4-10(13)9(6-8)12(14,15)16/h3-4,6-7,18H,2,5H2,1H3,(H,17,19)
InChIKeyJJQZQHWEZRKJHY-UHFFFAOYSA-N
XLogP3.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 82134049
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 803107
N-[4-chloro-3-(trifluoromethyl)phenyl]hex-4-ynamide
CID 2287537
2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 60646948
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyanopropanamide
CID 94285475
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylethylamino)propanamide
CID 109020364
N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 33165211
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(3,3-dimethyl-2-oxobutyl)butanediamide
CID 95753500
N-[2-chloro-6-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79204589
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(3,5-dimethylphenyl)propanediamide
CID 108953737
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-sulfanylidenepropanamide
CID 43132915

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide (CID 79017846) is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide is CC(O)CCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide?
The InChIKey is JJQZQHWEZRKJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3NO2/c1-7(18)2-5-11(19)17-8-3-4-10(13)9(6-8)12(14,15)16/h3-4,6-7,18H,2,5H2,1H3,(H,17,19).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide has a molecular weight of 295.69 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide is sourced from PubChem (CID 79017846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).