3-(2,3-difluorophenyl)-N-[4-(2-hydroxyethyl)phenyl]propanamide

C17H17F2NO2 — CID 110922797

IUPAC3-(2,3-difluorophenyl)-N-[4-(2-hydroxyethyl)phenyl]propanamide
SMILESO=C(CCc1cccc(F)c1F)Nc1ccc(CCO)cc1
InChIInChI=1S/C17H17F2NO2/c18-15-3-1-2-13(17(15)19)6-9-16(22)20-14-7-4-12(5-8-14)10-11-21/h1-5,7-8,21H,6,9-11H2,(H,20,22)
InChIKeyISVJTBZSTLDRSZ-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.07
Rot. Bonds6

About 3-(2,3-difluorophenyl)-N-[4-(2-hydroxyethyl)phenyl]propanamide

3-(2,3-difluorophenyl)-N-[4-(2-hydroxyethyl)phenyl]propanamide (PubChem CID 110922797) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-N-[4-(2-hydroxyethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-N-[4-(2-hydroxyethyl)phenyl]propanamide
PubChem CID110922797
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Name3-(2,3-difluorophenyl)-N-[4-(2-hydroxyethyl)phenyl]propanamide
SMILESO=C(CCc1cccc(F)c1F)Nc1ccc(CCO)cc1
InChIInChI=1S/C17H17F2NO2/c18-15-3-1-2-13(17(15)19)6-9-16(22)20-14-7-4-12(5-8-14)10-11-21/h1-5,7-8,21H,6,9-11H2,(H,20,22)
InChIKeyISVJTBZSTLDRSZ-UHFFFAOYSA-N
XLogP3.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[3-(2,3-difluorophenyl)propanoylamino]phenyl]-2-methylpropanoic acid
CID 120541021
3-(2,5-difluorophenyl)-N-[4-(2-hydroxyethyl)phenyl]propanamide
CID 110922795
3-(2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide
CID 100714513
(2S)-2-[3-(2,3-difluorophenyl)propanoylamino]propanoic acid
CID 119238181
3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26716432
N-[4-(2-hydroxyethyl)phenyl]-3-(7-methyl-1H-indol-3-yl)propanamide
CID 111487131
2-(2,6-dichlorophenyl)-N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 51985201
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-(2-fluorophenyl)propanamide
CID 35343898
N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-3-(2-fluorophenyl)propanamide
CID 108923344
N-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 41266031
N-(4-fluorophenyl)-3-hydroxypropanamide
CID 12748696
3-(2-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 38196539

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-N-[4-(2-hydroxyethyl)phenyl]propanamide?
The IUPAC name of 3-(2,3-difluorophenyl)-N-[4-(2-hydroxyethyl)phenyl]propanamide (CID 110922797) is 3-(2,3-difluorophenyl)-N-[4-(2-hydroxyethyl)phenyl]propanamide.
What is the SMILES notation for 3-(2,3-difluorophenyl)-N-[4-(2-hydroxyethyl)phenyl]propanamide?
The canonical SMILES for 3-(2,3-difluorophenyl)-N-[4-(2-hydroxyethyl)phenyl]propanamide is O=C(CCc1cccc(F)c1F)Nc1ccc(CCO)cc1.
What is the InChIKey of 3-(2,3-difluorophenyl)-N-[4-(2-hydroxyethyl)phenyl]propanamide?
The InChIKey is ISVJTBZSTLDRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2/c18-15-3-1-2-13(17(15)19)6-9-16(22)20-14-7-4-12(5-8-14)10-11-21/h1-5,7-8,21H,6,9-11H2,(H,20,22).
What are the key properties of 3-(2,3-difluorophenyl)-N-[4-(2-hydroxyethyl)phenyl]propanamide?
3-(2,3-difluorophenyl)-N-[4-(2-hydroxyethyl)phenyl]propanamide has a molecular weight of 305.32 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-N-[4-(2-hydroxyethyl)phenyl]propanamide is sourced from PubChem (CID 110922797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).