N-[3-bromo-5-(trifluoromethyl)phenyl]-4-hydroxypentanamide

C12H13BrF3NO2 — CID 79193315

IUPACN-[3-bromo-5-(trifluoromethyl)phenyl]-4-hydroxypentanamide
SMILESCC(O)CCC(=O)Nc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C12H13BrF3NO2/c1-7(18)2-3-11(19)17-10-5-8(12(14,15)16)4-9(13)6-10/h4-7,18H,2-3H2,1H3,(H,17,19)
InChIKeyFMWGCTVRUNQDNN-UHFFFAOYSA-N
MW340.14 g/mol
LogP3.57
Rot. Bonds4

About N-[3-bromo-5-(trifluoromethyl)phenyl]-4-hydroxypentanamide

N-[3-bromo-5-(trifluoromethyl)phenyl]-4-hydroxypentanamide (PubChem CID 79193315) has the molecular formula C12H13BrF3NO2 and a molecular weight of 340.14 g/mol. Its IUPAC name is N-[3-bromo-5-(trifluoromethyl)phenyl]-4-hydroxypentanamide.

Molecular Properties

Compound NameN-[3-bromo-5-(trifluoromethyl)phenyl]-4-hydroxypentanamide
PubChem CID79193315
Molecular FormulaC12H13BrF3NO2
Molecular Weight340.14 g/mol
Exact Mass339.01
IUPAC NameN-[3-bromo-5-(trifluoromethyl)phenyl]-4-hydroxypentanamide
SMILESCC(O)CCC(=O)Nc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C12H13BrF3NO2/c1-7(18)2-3-11(19)17-10-5-8(12(14,15)16)4-9(13)6-10/h4-7,18H,2-3H2,1H3,(H,17,19)
InChIKeyFMWGCTVRUNQDNN-UHFFFAOYSA-N
XLogP3.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.14
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-5-(trifluoromethyl)phenyl]-4-hydroxypentanamide?
The IUPAC name of N-[3-bromo-5-(trifluoromethyl)phenyl]-4-hydroxypentanamide (CID 79193315) is N-[3-bromo-5-(trifluoromethyl)phenyl]-4-hydroxypentanamide.
What is the SMILES notation for N-[3-bromo-5-(trifluoromethyl)phenyl]-4-hydroxypentanamide?
The canonical SMILES for N-[3-bromo-5-(trifluoromethyl)phenyl]-4-hydroxypentanamide is CC(O)CCC(=O)Nc1cc(Br)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-bromo-5-(trifluoromethyl)phenyl]-4-hydroxypentanamide?
The InChIKey is FMWGCTVRUNQDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF3NO2/c1-7(18)2-3-11(19)17-10-5-8(12(14,15)16)4-9(13)6-10/h4-7,18H,2-3H2,1H3,(H,17,19).
What are the key properties of N-[3-bromo-5-(trifluoromethyl)phenyl]-4-hydroxypentanamide?
N-[3-bromo-5-(trifluoromethyl)phenyl]-4-hydroxypentanamide has a molecular weight of 340.14 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-5-(trifluoromethyl)phenyl]-4-hydroxypentanamide is sourced from PubChem (CID 79193315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).