2,5-difluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide

C17H17F2NO2 — CID 111122067

IUPAC2,5-difluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
SMILESO=C(c1cc(F)ccc1F)N(CCO)CCc1ccccc1
InChIInChI=1S/C17H17F2NO2/c18-14-6-7-16(19)15(12-14)17(22)20(10-11-21)9-8-13-4-2-1-3-5-13/h1-7,12,21H,8-11H2
InChIKeyAFIBJGFGSQKWTK-UHFFFAOYSA-N
MW305.32 g/mol
LogP2.64
Rot. Bonds6

About 2,5-difluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide

2,5-difluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide (PubChem CID 111122067) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is 2,5-difluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
PubChem CID111122067
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Name2,5-difluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
SMILESO=C(c1cc(F)ccc1F)N(CCO)CCc1ccccc1
InChIInChI=1S/C17H17F2NO2/c18-14-6-7-16(19)15(12-14)17(22)20(10-11-21)9-8-13-4-2-1-3-5-13/h1-7,12,21H,8-11H2
InChIKeyAFIBJGFGSQKWTK-UHFFFAOYSA-N
XLogP2.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 111122037
2,4-difluoro-6-hydroxy-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 111122136
N-benzyl-N-(2-bromoethyl)-2,5-difluorobenzamide
CID 80655955
N-(2-hydroxyethyl)-2-methyl-N-(2-phenylethyl)benzamide
CID 111122128
5-chloro-2-fluoro-N,N-bis(2-hydroxyethyl)benzamide
CID 61145588
N-(2-hydroxyethyl)-2,4-dimethyl-N-(2-phenylethyl)benzamide
CID 111122151
2-bromo-5-fluoro-N,N-bis(2-hydroxyethyl)benzamide
CID 60955626
2-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide
CID 63110267
3-[(2-fluorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid
CID 82324750
2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)propanamide
CID 111477587
4-fluoro-N,N-bis(2-hydroxyethyl)-2-iodobenzamide
CID 103857248
5-chloro-N-(2-hydroxyethyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
CID 86943414

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide?
The IUPAC name of 2,5-difluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide (CID 111122067) is 2,5-difluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2,5-difluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2,5-difluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide is O=C(c1cc(F)ccc1F)N(CCO)CCc1ccccc1.
What is the InChIKey of 2,5-difluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide?
The InChIKey is AFIBJGFGSQKWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2/c18-14-6-7-16(19)15(12-14)17(22)20(10-11-21)9-8-13-4-2-1-3-5-13/h1-7,12,21H,8-11H2.
What are the key properties of 2,5-difluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide?
2,5-difluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide has a molecular weight of 305.32 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 111122067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).