4-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide

C16H16FNO2 — CID 63213049

IUPAC4-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
SMILESCOCc1cccc(NC(=O)c2ccc(F)c(C)c2)c1
InChIInChI=1S/C16H16FNO2/c1-11-8-13(6-7-15(11)17)16(19)18-14-5-3-4-12(9-14)10-20-2/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyIYJIMVIGPZUELC-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.53
Rot. Bonds4

About 4-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide

4-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide (PubChem CID 63213049) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
PubChem CID63213049
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name4-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
SMILESCOCc1cccc(NC(=O)c2ccc(F)c(C)c2)c1
InChIInChI=1S/C16H16FNO2/c1-11-8-13(6-7-15(11)17)16(19)18-14-5-3-4-12(9-14)10-20-2/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyIYJIMVIGPZUELC-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-3-(methoxymethyl)benzamide
CID 17462584
2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
CID 80718071
4-benzamido-N-[3-(methoxymethyl)phenyl]benzamide
CID 32639408
4-hydrazinyl-N-[3-(methoxymethyl)phenyl]benzamide
CID 62247351
N-(3-iodophenyl)-3-(methoxymethyl)benzamide
CID 7603133
N-(3-bromophenyl)-4-fluoro-3-methylbenzamide
CID 63210603
2-fluoro-6-hydroxy-N-[3-(methoxymethyl)phenyl]benzamide
CID 104916789
2-fluoro-N-[3-(methoxymethyl)phenyl]-5-sulfanylbenzamide
CID 107025437
3-bromo-4-methoxy-N-[3-(methoxymethyl)phenyl]benzamide
CID 32638662
3-(methoxymethyl)-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17471157
N-[3-(methoxymethyl)phenyl]-3-methylsulfonylbenzamide
CID 33099883
5-amino-2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
CID 103296273

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide?
The IUPAC name of 4-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide (CID 63213049) is 4-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide.
What is the SMILES notation for 4-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide?
The canonical SMILES for 4-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide is COCc1cccc(NC(=O)c2ccc(F)c(C)c2)c1.
What is the InChIKey of 4-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide?
The InChIKey is IYJIMVIGPZUELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11-8-13(6-7-15(11)17)16(19)18-14-5-3-4-12(9-14)10-20-2/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 4-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide?
4-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide has a molecular weight of 273.31 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide is sourced from PubChem (CID 63213049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).