3-acetyl-N-[(2-methoxyphenyl)methyl]-2-phenoxybenzamide

C23H21NO4 — CID 174408335

IUPAC3-acetyl-N-[(2-methoxyphenyl)methyl]-2-phenoxybenzamide
SMILESCOc1ccccc1CNC(=O)c1cccc(C(C)=O)c1Oc1ccccc1
InChIInChI=1S/C23H21NO4/c1-16(25)19-12-8-13-20(22(19)28-18-10-4-3-5-11-18)23(26)24-15-17-9-6-7-14-21(17)27-2/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeySTOFJIQPHWLIHU-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.62
Rot. Bonds7

About 3-acetyl-N-[(2-methoxyphenyl)methyl]-2-phenoxybenzamide

3-acetyl-N-[(2-methoxyphenyl)methyl]-2-phenoxybenzamide (PubChem CID 174408335) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is 3-acetyl-N-[(2-methoxyphenyl)methyl]-2-phenoxybenzamide.

Molecular Properties

Compound Name3-acetyl-N-[(2-methoxyphenyl)methyl]-2-phenoxybenzamide
PubChem CID174408335
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name3-acetyl-N-[(2-methoxyphenyl)methyl]-2-phenoxybenzamide
SMILESCOc1ccccc1CNC(=O)c1cccc(C(C)=O)c1Oc1ccccc1
InChIInChI=1S/C23H21NO4/c1-16(25)19-12-8-13-20(22(19)28-18-10-4-3-5-11-18)23(26)24-15-17-9-6-7-14-21(17)27-2/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeySTOFJIQPHWLIHU-UHFFFAOYSA-N
XLogP4.62
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
[2-[(2-methoxyphenyl)methylcarbamoyl]phenyl] acetate
CID 3362065
2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 51143674
3-hydroxy-N-[(2-methoxyphenyl)methyl]-2-methylbenzamide
CID 82786350
2-iodo-N-[(2-methoxyphenyl)methyl]benzamide
CID 1378811
N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide
CID 46590604
N-[(2-methoxyphenyl)methyl]-2-(4-phenoxyphenoxy)acetamide
CID 7610854
N-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide
CID 17068329
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912738
2-benzamido-N-[(2-methoxyphenyl)methyl]benzamide
CID 9404635
2-methoxy-N-[(2-methoxyphenyl)methyl]-3,5-dimethylbenzamide
CID 110762822
N-[(2-methoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 18081414

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[(2-methoxyphenyl)methyl]-2-phenoxybenzamide?
The IUPAC name of 3-acetyl-N-[(2-methoxyphenyl)methyl]-2-phenoxybenzamide (CID 174408335) is 3-acetyl-N-[(2-methoxyphenyl)methyl]-2-phenoxybenzamide.
What is the SMILES notation for 3-acetyl-N-[(2-methoxyphenyl)methyl]-2-phenoxybenzamide?
The canonical SMILES for 3-acetyl-N-[(2-methoxyphenyl)methyl]-2-phenoxybenzamide is COc1ccccc1CNC(=O)c1cccc(C(C)=O)c1Oc1ccccc1.
What is the InChIKey of 3-acetyl-N-[(2-methoxyphenyl)methyl]-2-phenoxybenzamide?
The InChIKey is STOFJIQPHWLIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-16(25)19-12-8-13-20(22(19)28-18-10-4-3-5-11-18)23(26)24-15-17-9-6-7-14-21(17)27-2/h3-14H,15H2,1-2H3,(H,24,26).
What are the key properties of 3-acetyl-N-[(2-methoxyphenyl)methyl]-2-phenoxybenzamide?
3-acetyl-N-[(2-methoxyphenyl)methyl]-2-phenoxybenzamide has a molecular weight of 375.42 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[(2-methoxyphenyl)methyl]-2-phenoxybenzamide is sourced from PubChem (CID 174408335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).