4-fluoro-N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]benzamide

C23H21FN2O3 — CID 51121607

IUPAC4-fluoro-N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]benzamide
SMILESO=C(CCc1ccccc1O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C23H21FN2O3/c24-19-11-8-18(9-12-19)23(29)26-20-6-3-4-16(14-20)15-25-22(28)13-10-17-5-1-2-7-21(17)27/h1-9,11-12,14,27H,10,13,15H2,(H,25,28)(H,26,29)
InChIKeyYPPQCBBAMIUTMW-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.03
Rot. Bonds7

About 4-fluoro-N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]benzamide

4-fluoro-N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]benzamide (PubChem CID 51121607) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is 4-fluoro-N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]benzamide
PubChem CID51121607
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name4-fluoro-N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]benzamide
SMILESO=C(CCc1ccccc1O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C23H21FN2O3/c24-19-11-8-18(9-12-19)23(29)26-20-6-3-4-16(14-20)15-25-22(28)13-10-17-5-1-2-7-21(17)27/h1-9,11-12,14,27H,10,13,15H2,(H,25,28)(H,26,29)
InChIKeyYPPQCBBAMIUTMW-UHFFFAOYSA-N
XLogP4.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide
CID 47064659
[3-[[3-[[3-(4-fluorophenyl)propanoylamino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108929247
4-fluoro-N-[3-[(2,2,2-trifluoroethylcarbamoylamino)methyl]phenyl]benzamide
CID 47066077
N-[4-[(3-acetamidophenyl)methylamino]-4-oxobutyl]-4-fluorobenzamide
CID 47070838
N-[3-[[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]methyl]phenyl]-4-fluorobenzamide
CID 55947108
N-benzyl-3-(2-hydroxyphenyl)propanamide
CID 3438013
N-[3-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-4-fluorobenzamide
CID 55893896
3-bromo-N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]benzamide
CID 55948110
4-fluoro-N-[3-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]benzamide
CID 60535431
4-fluoro-N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]benzamide
CID 55893772
3-fluoro-N-[3-[(3-pyridin-3-ylpropanoylamino)methyl]phenyl]benzamide
CID 47063746
2,3-dichloro-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide
CID 55893391

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]benzamide (CID 51121607) is 4-fluoro-N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]benzamide is O=C(CCc1ccccc1O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 4-fluoro-N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]benzamide?
The InChIKey is YPPQCBBAMIUTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c24-19-11-8-18(9-12-19)23(29)26-20-6-3-4-16(14-20)15-25-22(28)13-10-17-5-1-2-7-21(17)27/h1-9,11-12,14,27H,10,13,15H2,(H,25,28)(H,26,29).
What are the key properties of 4-fluoro-N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]benzamide?
4-fluoro-N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]benzamide has a molecular weight of 392.43 g/mol, XLogP of 4.03, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]benzamide is sourced from PubChem (CID 51121607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).