N-[2-chloro-6-(trifluoromethyl)phenyl]-4-hydroxypentanamide

C12H13ClF3NO2 — CID 79204589

IUPACN-[2-chloro-6-(trifluoromethyl)phenyl]-4-hydroxypentanamide
SMILESCC(O)CCC(=O)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C12H13ClF3NO2/c1-7(18)5-6-10(19)17-11-8(12(14,15)16)3-2-4-9(11)13/h2-4,7,18H,5-6H2,1H3,(H,17,19)
InChIKeyBARQFKKMYQDNCS-UHFFFAOYSA-N
MW295.69 g/mol
LogP3.46
Rot. Bonds4

About N-[2-chloro-6-(trifluoromethyl)phenyl]-4-hydroxypentanamide

N-[2-chloro-6-(trifluoromethyl)phenyl]-4-hydroxypentanamide (PubChem CID 79204589) has the molecular formula C12H13ClF3NO2 and a molecular weight of 295.69 g/mol. Its IUPAC name is N-[2-chloro-6-(trifluoromethyl)phenyl]-4-hydroxypentanamide.

Molecular Properties

Compound NameN-[2-chloro-6-(trifluoromethyl)phenyl]-4-hydroxypentanamide
PubChem CID79204589
Molecular FormulaC12H13ClF3NO2
Molecular Weight295.69 g/mol
Exact Mass295.06
IUPAC NameN-[2-chloro-6-(trifluoromethyl)phenyl]-4-hydroxypentanamide
SMILESCC(O)CCC(=O)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C12H13ClF3NO2/c1-7(18)5-6-10(19)17-11-8(12(14,15)16)3-2-4-9(11)13/h2-4,7,18H,5-6H2,1H3,(H,17,19)
InChIKeyBARQFKKMYQDNCS-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

4-[2-chloro-6-(trifluoromethyl)anilino]-4-oxobutanoic acid
CID 43579669
N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide
CID 64591639
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79017846
4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylbutanamide
CID 80542320
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915268
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(4-fluorophenyl)ethylsulfanyl]acetamide
CID 55583835
3-[2-chloro-6-(trifluoromethyl)anilino]propanamide
CID 43152515
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 61266948
[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 16565506
2-(aminomethyl)-N-[2-chloro-6-(trifluoromethyl)phenyl]butanamide
CID 65225587
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 60841931

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-4-hydroxypentanamide?
The IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-4-hydroxypentanamide (CID 79204589) is N-[2-chloro-6-(trifluoromethyl)phenyl]-4-hydroxypentanamide.
What is the SMILES notation for N-[2-chloro-6-(trifluoromethyl)phenyl]-4-hydroxypentanamide?
The canonical SMILES for N-[2-chloro-6-(trifluoromethyl)phenyl]-4-hydroxypentanamide is CC(O)CCC(=O)Nc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of N-[2-chloro-6-(trifluoromethyl)phenyl]-4-hydroxypentanamide?
The InChIKey is BARQFKKMYQDNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3NO2/c1-7(18)5-6-10(19)17-11-8(12(14,15)16)3-2-4-9(11)13/h2-4,7,18H,5-6H2,1H3,(H,17,19).
What are the key properties of N-[2-chloro-6-(trifluoromethyl)phenyl]-4-hydroxypentanamide?
N-[2-chloro-6-(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-[2-chloro-6-(trifluoromethyl)phenyl]-4-hydroxypentanamide is sourced from PubChem (CID 79204589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).