N-[(3-acetamidophenyl)methyl]-3-fluoro-4-methoxybenzamide

C17H17FN2O3 — CID 39573373

IUPACN-[(3-acetamidophenyl)methyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cccc(NC(C)=O)c2)cc1F
InChIInChI=1S/C17H17FN2O3/c1-11(21)20-14-5-3-4-12(8-14)10-19-17(22)13-6-7-16(23-2)15(18)9-13/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyYCCFUQHNNGVLBL-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.72
Rot. Bonds5

About N-[(3-acetamidophenyl)methyl]-3-fluoro-4-methoxybenzamide

N-[(3-acetamidophenyl)methyl]-3-fluoro-4-methoxybenzamide (PubChem CID 39573373) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is N-[(3-acetamidophenyl)methyl]-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(3-acetamidophenyl)methyl]-3-fluoro-4-methoxybenzamide
PubChem CID39573373
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC NameN-[(3-acetamidophenyl)methyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cccc(NC(C)=O)c2)cc1F
InChIInChI=1S/C17H17FN2O3/c1-11(21)20-14-5-3-4-12(8-14)10-19-17(22)13-6-7-16(23-2)15(18)9-13/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyYCCFUQHNNGVLBL-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

Analyze N-[(3-acetamidophenyl)methyl]-3-fluoro-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 38293920
N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 62920214
3-acetamido-N-[(5-fluoro-2-methoxyphenyl)methyl]benzamide
CID 110793473
3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 8756994
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
N-[[4-(bromomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 107233727
N-[3-[[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 33015490
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]-3,4-dimethoxybenzamide
CID 108923849
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
CID 64997274
5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxybenzamide
CID 55894052
N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55947983

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamidophenyl)methyl]-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-[(3-acetamidophenyl)methyl]-3-fluoro-4-methoxybenzamide (CID 39573373) is N-[(3-acetamidophenyl)methyl]-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[(3-acetamidophenyl)methyl]-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[(3-acetamidophenyl)methyl]-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NCc2cccc(NC(C)=O)c2)cc1F.
What is the InChIKey of N-[(3-acetamidophenyl)methyl]-3-fluoro-4-methoxybenzamide?
The InChIKey is YCCFUQHNNGVLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-11(21)20-14-5-3-4-12(8-14)10-19-17(22)13-6-7-16(23-2)15(18)9-13/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[(3-acetamidophenyl)methyl]-3-fluoro-4-methoxybenzamide?
N-[(3-acetamidophenyl)methyl]-3-fluoro-4-methoxybenzamide 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-[(3-acetamidophenyl)methyl]-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 39573373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).