3-acetamido-N-[(5-fluoro-2-methoxyphenyl)methyl]benzamide

C17H17FN2O3 — CID 110793473

IUPAC3-acetamido-N-[(5-fluoro-2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(F)cc1CNC(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C17H17FN2O3/c1-11(21)20-15-5-3-4-12(9-15)17(22)19-10-13-8-14(18)6-7-16(13)23-2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyOQTLWSUXEJYGPL-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.72
Rot. Bonds5

About 3-acetamido-N-[(5-fluoro-2-methoxyphenyl)methyl]benzamide

3-acetamido-N-[(5-fluoro-2-methoxyphenyl)methyl]benzamide (PubChem CID 110793473) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 3-acetamido-N-[(5-fluoro-2-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[(5-fluoro-2-methoxyphenyl)methyl]benzamide
PubChem CID110793473
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name3-acetamido-N-[(5-fluoro-2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(F)cc1CNC(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C17H17FN2O3/c1-11(21)20-15-5-3-4-12(9-15)17(22)19-10-13-8-14(18)6-7-16(13)23-2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyOQTLWSUXEJYGPL-UHFFFAOYSA-N
XLogP2.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-acetamido-2-methoxyphenyl)methyl]-4-fluorobenzamide
CID 110784125
N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methoxybenzamide
CID 110784129
N-[(5-acetamido-2-methoxyphenyl)methyl]-3-(dimethylamino)benzamide
CID 110794429
3-acetamido-N-[(2-fluorophenyl)methyl]benzamide
CID 8012881
N-[(3-acetamidophenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 39573373
N-[(5-fluoro-2-methoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 110780162
5-N-(3-fluorophenyl)-3-N-[(2-methoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105765
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208
N-[3-[(2,5-dimethoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 33102267
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-oxopropanamide
CID 115175593
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-acetamidobenzoate
CID 7842393
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(5-fluoro-2-methoxyphenyl)methyl]benzamide?
The IUPAC name of 3-acetamido-N-[(5-fluoro-2-methoxyphenyl)methyl]benzamide (CID 110793473) is 3-acetamido-N-[(5-fluoro-2-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[(5-fluoro-2-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-acetamido-N-[(5-fluoro-2-methoxyphenyl)methyl]benzamide is COc1ccc(F)cc1CNC(=O)c1cccc(NC(C)=O)c1.
What is the InChIKey of 3-acetamido-N-[(5-fluoro-2-methoxyphenyl)methyl]benzamide?
The InChIKey is OQTLWSUXEJYGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-11(21)20-15-5-3-4-12(9-15)17(22)19-10-13-8-14(18)6-7-16(13)23-2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 3-acetamido-N-[(5-fluoro-2-methoxyphenyl)methyl]benzamide?
3-acetamido-N-[(5-fluoro-2-methoxyphenyl)methyl]benzamide has a molecular weight of 316.33 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(5-fluoro-2-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 110793473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).