N-[(5-acetamido-2-methoxyphenyl)methyl]-4-fluorobenzamide

C17H17FN2O3 — CID 110784125

IUPACN-[(5-acetamido-2-methoxyphenyl)methyl]-4-fluorobenzamide
SMILESCOc1ccc(NC(C)=O)cc1CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3/c1-11(21)20-15-7-8-16(23-2)13(9-15)10-19-17(22)12-3-5-14(18)6-4-12/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyQDGOBTHQJCLFBN-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.72
Rot. Bonds5

About N-[(5-acetamido-2-methoxyphenyl)methyl]-4-fluorobenzamide

N-[(5-acetamido-2-methoxyphenyl)methyl]-4-fluorobenzamide (PubChem CID 110784125) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is N-[(5-acetamido-2-methoxyphenyl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(5-acetamido-2-methoxyphenyl)methyl]-4-fluorobenzamide
PubChem CID110784125
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC NameN-[(5-acetamido-2-methoxyphenyl)methyl]-4-fluorobenzamide
SMILESCOc1ccc(NC(C)=O)cc1CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3/c1-11(21)20-15-7-8-16(23-2)13(9-15)10-19-17(22)12-3-5-14(18)6-4-12/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyQDGOBTHQJCLFBN-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

3-acetamido-N-[(5-fluoro-2-methoxyphenyl)methyl]benzamide
CID 110793473
N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methoxybenzamide
CID 110784129
N-[(5-acetamido-2-methoxyphenyl)methyl]-3-(dimethylamino)benzamide
CID 110794429
N-[(5-fluoro-2-methoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 110780162
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
N-[(4-acetamidophenyl)methyl]-2-(5-acetyl-2-methoxyphenyl)acetamide
CID 18154107
2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 30843339
N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methylbutanamide
CID 110784111
4-[(5-fluoro-2-methoxyphenyl)methylamino]-N-hydroxybenzamide
CID 134492118
N-[(5-acetamido-2-methoxyphenyl)methyl]-2-(2-chlorophenyl)acetamide
CID 110784166
2-(5-acetamido-2-methoxyphenyl)acetamide
CID 82494406
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968

Frequently Asked Questions

What is the IUPAC name of N-[(5-acetamido-2-methoxyphenyl)methyl]-4-fluorobenzamide?
The IUPAC name of N-[(5-acetamido-2-methoxyphenyl)methyl]-4-fluorobenzamide (CID 110784125) is N-[(5-acetamido-2-methoxyphenyl)methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(5-acetamido-2-methoxyphenyl)methyl]-4-fluorobenzamide?
The canonical SMILES for N-[(5-acetamido-2-methoxyphenyl)methyl]-4-fluorobenzamide is COc1ccc(NC(C)=O)cc1CNC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[(5-acetamido-2-methoxyphenyl)methyl]-4-fluorobenzamide?
The InChIKey is QDGOBTHQJCLFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-11(21)20-15-7-8-16(23-2)13(9-15)10-19-17(22)12-3-5-14(18)6-4-12/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[(5-acetamido-2-methoxyphenyl)methyl]-4-fluorobenzamide?
N-[(5-acetamido-2-methoxyphenyl)methyl]-4-fluorobenzamide 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 N-[(5-acetamido-2-methoxyphenyl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 110784125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).