3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide

C16H16FNO2 — CID 9088186

IUPAC3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
SMILESCOc1cccc(CNC(=O)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C16H16FNO2/c1-11-6-7-13(9-15(11)17)16(19)18-10-12-4-3-5-14(8-12)20-2/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyYMUQALMCMNVPFW-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.07
Rot. Bonds4

About 3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide

3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide (PubChem CID 9088186) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
PubChem CID9088186
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
SMILESCOc1cccc(CNC(=O)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C16H16FNO2/c1-11-6-7-13(9-15(11)17)16(19)18-10-12-4-3-5-14(8-12)20-2/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyYMUQALMCMNVPFW-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

3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 30491738
3-fluoro-N-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-4-methylbenzamide
CID 33326769
3-amino-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 60873375
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methylbenzamide
CID 71822155
2-(3-fluoro-4-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 31525565
3-fluoro-N-[2-[(4-methoxyphenyl)methylcarbamoylamino]ethyl]-4-methylbenzamide
CID 32544617
3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 38293920
4-formyl-N-[(3-methoxyphenyl)methyl]benzamide
CID 155923762
1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10293708
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide?
The IUPAC name of 3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide (CID 9088186) is 3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide?
The canonical SMILES for 3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide is COc1cccc(CNC(=O)c2ccc(C)c(F)c2)c1.
What is the InChIKey of 3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide?
The InChIKey is YMUQALMCMNVPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11-6-7-13(9-15(11)17)16(19)18-10-12-4-3-5-14(8-12)20-2/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide?
3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide 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-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide is sourced from PubChem (CID 9088186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).