3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide

C16H16FNO2 — CID 38293920

IUPAC3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccc(C)c2)cc1F
InChIInChI=1S/C16H16FNO2/c1-11-4-3-5-12(8-11)10-18-16(19)13-6-7-15(20-2)14(17)9-13/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyASEMNIBPSXLVGR-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.07
Rot. Bonds4

About 3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide

3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 38293920) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide
PubChem CID38293920
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccc(C)c2)cc1F
InChIInChI=1S/C16H16FNO2/c1-11-4-3-5-12(8-11)10-18-16(19)13-6-7-15(20-2)14(17)9-13/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyASEMNIBPSXLVGR-UHFFFAOYSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-acetamidophenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 39573373
N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 62920214
1-(3-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62389398
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
3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 134003498
N-[[4-(bromomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 107233727
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
3-fluoro-N-[(3-methylphenyl)methyl]-4-nitrobenzamide
CID 62681809
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 27514924
3,4-difluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992174
3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 9088186

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide (CID 38293920) is 3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide is COc1ccc(C(=O)NCc2cccc(C)c2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is ASEMNIBPSXLVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11-4-3-5-12(8-11)10-18-16(19)13-6-7-15(20-2)14(17)9-13/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide?
3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide has a molecular weight of 273.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 38293920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).