3-(3-fluoro-1H-isoindol-5-yl)-N-[1-(3-fluorophenyl)-2-hydroxyethyl]benzamide

C23H18F2N2O2 — CID 163678461

IUPAC3-(3-fluoro-1H-isoindol-5-yl)-N-[1-(3-fluorophenyl)-2-hydroxyethyl]benzamide
SMILESO=C(NC(CO)c1cccc(F)c1)c1cccc(-c2ccc3c(c2)C(F)=NC3)c1
InChIInChI=1S/C23H18F2N2O2/c24-19-6-2-4-16(10-19)21(13-28)27-23(29)17-5-1-3-14(9-17)15-7-8-18-12-26-22(25)20(18)11-15/h1-11,21,28H,12-13H2,(H,27,29)
InChIKeyQIBPOLQIERXHAH-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.19
Rot. Bonds5

About 3-(3-fluoro-1H-isoindol-5-yl)-N-[1-(3-fluorophenyl)-2-hydroxyethyl]benzamide

3-(3-fluoro-1H-isoindol-5-yl)-N-[1-(3-fluorophenyl)-2-hydroxyethyl]benzamide (PubChem CID 163678461) has the molecular formula C23H18F2N2O2 and a molecular weight of 392.41 g/mol. Its IUPAC name is 3-(3-fluoro-1H-isoindol-5-yl)-N-[1-(3-fluorophenyl)-2-hydroxyethyl]benzamide.

Molecular Properties

Compound Name3-(3-fluoro-1H-isoindol-5-yl)-N-[1-(3-fluorophenyl)-2-hydroxyethyl]benzamide
PubChem CID163678461
Molecular FormulaC23H18F2N2O2
Molecular Weight392.41 g/mol
Exact Mass392.13
IUPAC Name3-(3-fluoro-1H-isoindol-5-yl)-N-[1-(3-fluorophenyl)-2-hydroxyethyl]benzamide
SMILESO=C(NC(CO)c1cccc(F)c1)c1cccc(-c2ccc3c(c2)C(F)=NC3)c1
InChIInChI=1S/C23H18F2N2O2/c24-19-6-2-4-16(10-19)21(13-28)27-23(29)17-5-1-3-14(9-17)15-7-8-18-12-26-22(25)20(18)11-15/h1-11,21,28H,12-13H2,(H,27,29)
InChIKeyQIBPOLQIERXHAH-UHFFFAOYSA-N
XLogP4.19
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-fluoro-1H-isoindol-5-yl)-N-[1-(3-fluorophenyl)-2-hydroxyethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-amino-1H-isoindol-5-yl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide
CID 163802313
6-(3-fluorophenyl)-N-(2-hydroxy-1-phenylethyl)pyridine-3-carboxamide
CID 123528427
N-[1-(2-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide
CID 163954256
N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
CID 134474999
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066
3-(3-fluoro-1H-isoindol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]benzamide
CID 163627957
N-[2-amino-2-methyl-1-(3-methylphenyl)propyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide
CID 163439112
3-(difluoromethoxy)-N-(2-hydroxy-1-phenylethyl)benzamide
CID 110931053
N-(2-hydroxy-1-phenylethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 110001278
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
N-(2-hydroxy-1-phenylethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 110001357
2-(cyclopropylamino)-2-(3-fluorophenyl)ethanol
CID 61055012

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-1H-isoindol-5-yl)-N-[1-(3-fluorophenyl)-2-hydroxyethyl]benzamide?
The IUPAC name of 3-(3-fluoro-1H-isoindol-5-yl)-N-[1-(3-fluorophenyl)-2-hydroxyethyl]benzamide (CID 163678461) is 3-(3-fluoro-1H-isoindol-5-yl)-N-[1-(3-fluorophenyl)-2-hydroxyethyl]benzamide.
What is the SMILES notation for 3-(3-fluoro-1H-isoindol-5-yl)-N-[1-(3-fluorophenyl)-2-hydroxyethyl]benzamide?
The canonical SMILES for 3-(3-fluoro-1H-isoindol-5-yl)-N-[1-(3-fluorophenyl)-2-hydroxyethyl]benzamide is O=C(NC(CO)c1cccc(F)c1)c1cccc(-c2ccc3c(c2)C(F)=NC3)c1.
What is the InChIKey of 3-(3-fluoro-1H-isoindol-5-yl)-N-[1-(3-fluorophenyl)-2-hydroxyethyl]benzamide?
The InChIKey is QIBPOLQIERXHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N2O2/c24-19-6-2-4-16(10-19)21(13-28)27-23(29)17-5-1-3-14(9-17)15-7-8-18-12-26-22(25)20(18)11-15/h1-11,21,28H,12-13H2,(H,27,29).
What are the key properties of 3-(3-fluoro-1H-isoindol-5-yl)-N-[1-(3-fluorophenyl)-2-hydroxyethyl]benzamide?
3-(3-fluoro-1H-isoindol-5-yl)-N-[1-(3-fluorophenyl)-2-hydroxyethyl]benzamide has a molecular weight of 392.41 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-1H-isoindol-5-yl)-N-[1-(3-fluorophenyl)-2-hydroxyethyl]benzamide is sourced from PubChem (CID 163678461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).