3-fluoro-N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide

C23H21FN2O3 — CID 55894310

IUPAC3-fluoro-N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide
SMILESCOc1cccc(CC(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)c1
InChIInChI=1S/C23H21FN2O3/c1-29-21-10-3-5-16(12-21)13-22(27)25-15-17-6-2-9-20(11-17)26-23(28)18-7-4-8-19(24)14-18/h2-12,14H,13,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyZHQJTGYZNOEARP-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.95
Rot. Bonds7

About 3-fluoro-N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide

3-fluoro-N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide (PubChem CID 55894310) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is 3-fluoro-N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide
PubChem CID55894310
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name3-fluoro-N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide
SMILESCOc1cccc(CC(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)c1
InChIInChI=1S/C23H21FN2O3/c1-29-21-10-3-5-16(12-21)13-22(27)25-15-17-6-2-9-20(11-17)26-23(28)18-7-4-8-19(24)14-18/h2-12,14H,13,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyZHQJTGYZNOEARP-UHFFFAOYSA-N
XLogP3.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108929211
N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926458
3-[2-[[3-[(3-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethoxy]benzamide
CID 55947735
N-[3-[[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]methyl]phenyl]-3-fluorobenzamide
CID 55892908
N-[3-[[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]methyl]phenyl]-3-fluorobenzamide
CID 55893037
3-fluoro-N-[3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]phenyl]benzamide
CID 99834490
5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxybenzamide
CID 55894052
2,2,2-trifluoro-N-[[3-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]methyl]acetamide
CID 108934640
N-(3-ethylphenyl)-3-methoxybenzamide
CID 896052
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
3-fluoro-N-[3-[(3-pyridin-3-ylpropanoylamino)methyl]phenyl]benzamide
CID 47063746
[3-[[3-[[3-(4-fluorophenyl)propanoylamino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108929247

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide (CID 55894310) is 3-fluoro-N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide is COc1cccc(CC(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)c1.
What is the InChIKey of 3-fluoro-N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide?
The InChIKey is ZHQJTGYZNOEARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c1-29-21-10-3-5-16(12-21)13-22(27)25-15-17-6-2-9-20(11-17)26-23(28)18-7-4-8-19(24)14-18/h2-12,14H,13,15H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 3-fluoro-N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide?
3-fluoro-N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide has a molecular weight of 392.43 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide is sourced from PubChem (CID 55894310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).