2-[4-(2,4-difluorophenyl)-3-hydroxyphenyl]propanamide

C15H13F2NO2 — CID 21412652

IUPAC2-[4-(2,4-difluorophenyl)-3-hydroxyphenyl]propanamide
SMILESCC(C(N)=O)c1ccc(-c2ccc(F)cc2F)c(O)c1
InChIInChI=1S/C15H13F2NO2/c1-8(15(18)20)9-2-4-12(14(19)6-9)11-5-3-10(16)7-13(11)17/h2-8,19H,1H3,(H2,18,20)
InChIKeyFRLSEQWRIAACKG-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.93
Rot. Bonds3

About 2-[4-(2,4-difluorophenyl)-3-hydroxyphenyl]propanamide

2-[4-(2,4-difluorophenyl)-3-hydroxyphenyl]propanamide (PubChem CID 21412652) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 2-[4-(2,4-difluorophenyl)-3-hydroxyphenyl]propanamide.

Molecular Properties

Compound Name2-[4-(2,4-difluorophenyl)-3-hydroxyphenyl]propanamide
PubChem CID21412652
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name2-[4-(2,4-difluorophenyl)-3-hydroxyphenyl]propanamide
SMILESCC(C(N)=O)c1ccc(-c2ccc(F)cc2F)c(O)c1
InChIInChI=1S/C15H13F2NO2/c1-8(15(18)20)9-2-4-12(14(19)6-9)11-5-3-10(16)7-13(11)17/h2-8,19H,1H3,(H2,18,20)
InChIKeyFRLSEQWRIAACKG-UHFFFAOYSA-N
XLogP2.93
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Cambridge id 6584363
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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-difluorophenyl)-3-hydroxyphenyl]propanamide?
The IUPAC name of 2-[4-(2,4-difluorophenyl)-3-hydroxyphenyl]propanamide (CID 21412652) is 2-[4-(2,4-difluorophenyl)-3-hydroxyphenyl]propanamide.
What is the SMILES notation for 2-[4-(2,4-difluorophenyl)-3-hydroxyphenyl]propanamide?
The canonical SMILES for 2-[4-(2,4-difluorophenyl)-3-hydroxyphenyl]propanamide is CC(C(N)=O)c1ccc(-c2ccc(F)cc2F)c(O)c1.
What is the InChIKey of 2-[4-(2,4-difluorophenyl)-3-hydroxyphenyl]propanamide?
The InChIKey is FRLSEQWRIAACKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-8(15(18)20)9-2-4-12(14(19)6-9)11-5-3-10(16)7-13(11)17/h2-8,19H,1H3,(H2,18,20).
What are the key properties of 2-[4-(2,4-difluorophenyl)-3-hydroxyphenyl]propanamide?
2-[4-(2,4-difluorophenyl)-3-hydroxyphenyl]propanamide has a molecular weight of 277.27 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-difluorophenyl)-3-hydroxyphenyl]propanamide is sourced from PubChem (CID 21412652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).