2,4-difluoro-6-hydroxy-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide

C17H17F2NO3 — CID 111122136

IUPAC2,4-difluoro-6-hydroxy-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
SMILESO=C(c1c(O)cc(F)cc1F)N(CCO)CCc1ccccc1
InChIInChI=1S/C17H17F2NO3/c18-13-10-14(19)16(15(22)11-13)17(23)20(8-9-21)7-6-12-4-2-1-3-5-12/h1-5,10-11,21-22H,6-9H2
InChIKeyPIUMQHAXKJVASV-UHFFFAOYSA-N
MW321.32 g/mol
LogP2.35
Rot. Bonds6

About 2,4-difluoro-6-hydroxy-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide

2,4-difluoro-6-hydroxy-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide (PubChem CID 111122136) has the molecular formula C17H17F2NO3 and a molecular weight of 321.32 g/mol. Its IUPAC name is 2,4-difluoro-6-hydroxy-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2,4-difluoro-6-hydroxy-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
PubChem CID111122136
Molecular FormulaC17H17F2NO3
Molecular Weight321.32 g/mol
Exact Mass321.12
IUPAC Name2,4-difluoro-6-hydroxy-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
SMILESO=C(c1c(O)cc(F)cc1F)N(CCO)CCc1ccccc1
InChIInChI=1S/C17H17F2NO3/c18-13-10-14(19)16(15(22)11-13)17(23)20(8-9-21)7-6-12-4-2-1-3-5-12/h1-5,10-11,21-22H,6-9H2
InChIKeyPIUMQHAXKJVASV-UHFFFAOYSA-N
XLogP2.35
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-difluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 111122067
5-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 111122037
N-(2-hydroxyethyl)-2-methyl-N-(2-phenylethyl)benzamide
CID 111122128
N-butyl-N-ethyl-2,4-difluoro-6-hydroxybenzamide
CID 60599171
N-(2-hydroxyethyl)-2,4-dimethyl-N-(2-phenylethyl)benzamide
CID 111122151
N-(2-hydroxyethyl)-N-(2-phenylethyl)thiophene-3-carboxamide
CID 111122178
2,6-difluoro-N-(2-phenylethyl)-N-prop-2-enylbenzamide
CID 86857535
2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)propanamide
CID 111477587
5-chloro-N-(2-hydroxyethyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
CID 86943414
N-(2-hydroxyethyl)-N-(2-phenylethyl)butanamide
CID 111122043
2-N-(2-hydroxyethyl)-2-N-(2-phenylethyl)thiophene-2,4-dicarboxamide
CID 111122214
N-(2-hydroxyethyl)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 111122126

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-hydroxy-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide?
The IUPAC name of 2,4-difluoro-6-hydroxy-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide (CID 111122136) is 2,4-difluoro-6-hydroxy-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2,4-difluoro-6-hydroxy-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2,4-difluoro-6-hydroxy-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide is O=C(c1c(O)cc(F)cc1F)N(CCO)CCc1ccccc1.
What is the InChIKey of 2,4-difluoro-6-hydroxy-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide?
The InChIKey is PIUMQHAXKJVASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3/c18-13-10-14(19)16(15(22)11-13)17(23)20(8-9-21)7-6-12-4-2-1-3-5-12/h1-5,10-11,21-22H,6-9H2.
What are the key properties of 2,4-difluoro-6-hydroxy-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide?
2,4-difluoro-6-hydroxy-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide has a molecular weight of 321.32 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-hydroxy-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 111122136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).