3-(3,4-difluorophenyl)-5-hydroxy-N-methyl-N-phenylpentanamide

C18H19F2NO2 — CID 54020928

IUPAC3-(3,4-difluorophenyl)-5-hydroxy-N-methyl-N-phenylpentanamide
SMILESCN(C(=O)CC(CCO)c1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C18H19F2NO2/c1-21(15-5-3-2-4-6-15)18(23)12-14(9-10-22)13-7-8-16(19)17(20)11-13/h2-8,11,14,22H,9-10,12H2,1H3
InChIKeyKYWFUSGZUQABPJ-UHFFFAOYSA-N
MW319.35 g/mol
LogP3.48
Rot. Bonds6

About 3-(3,4-difluorophenyl)-5-hydroxy-N-methyl-N-phenylpentanamide

3-(3,4-difluorophenyl)-5-hydroxy-N-methyl-N-phenylpentanamide (PubChem CID 54020928) has the molecular formula C18H19F2NO2 and a molecular weight of 319.35 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-5-hydroxy-N-methyl-N-phenylpentanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-5-hydroxy-N-methyl-N-phenylpentanamide
PubChem CID54020928
Molecular FormulaC18H19F2NO2
Molecular Weight319.35 g/mol
Exact Mass319.14
IUPAC Name3-(3,4-difluorophenyl)-5-hydroxy-N-methyl-N-phenylpentanamide
SMILESCN(C(=O)CC(CCO)c1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C18H19F2NO2/c1-21(15-5-3-2-4-6-15)18(23)12-14(9-10-22)13-7-8-16(19)17(20)11-13/h2-8,11,14,22H,9-10,12H2,1H3
InChIKeyKYWFUSGZUQABPJ-UHFFFAOYSA-N
XLogP3.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-5-hydroxy-N-methyl-N-phenylpentanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-5-hydroxy-N-methyl-N-phenylpentanamide (CID 54020928) is 3-(3,4-difluorophenyl)-5-hydroxy-N-methyl-N-phenylpentanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-5-hydroxy-N-methyl-N-phenylpentanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-5-hydroxy-N-methyl-N-phenylpentanamide is CN(C(=O)CC(CCO)c1ccc(F)c(F)c1)c1ccccc1.
What is the InChIKey of 3-(3,4-difluorophenyl)-5-hydroxy-N-methyl-N-phenylpentanamide?
The InChIKey is KYWFUSGZUQABPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO2/c1-21(15-5-3-2-4-6-15)18(23)12-14(9-10-22)13-7-8-16(19)17(20)11-13/h2-8,11,14,22H,9-10,12H2,1H3.
What are the key properties of 3-(3,4-difluorophenyl)-5-hydroxy-N-methyl-N-phenylpentanamide?
3-(3,4-difluorophenyl)-5-hydroxy-N-methyl-N-phenylpentanamide has a molecular weight of 319.35 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-5-hydroxy-N-methyl-N-phenylpentanamide is sourced from PubChem (CID 54020928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).