3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-5-methylbenzamide

C16H16FNO2 — CID 115663338

IUPAC3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)NCc2cccc(CO)c2)c1
InChIInChI=1S/C16H16FNO2/c1-11-5-14(8-15(17)6-11)16(20)18-9-12-3-2-4-13(7-12)10-19/h2-8,19H,9-10H2,1H3,(H,18,20)
InChIKeyCZEDPTXLUKAYIL-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.56
Rot. Bonds4

About 3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-5-methylbenzamide

3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-5-methylbenzamide (PubChem CID 115663338) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-5-methylbenzamide
PubChem CID115663338
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)NCc2cccc(CO)c2)c1
InChIInChI=1S/C16H16FNO2/c1-11-5-14(8-15(17)6-11)16(20)18-9-12-3-2-4-13(7-12)10-19/h2-8,19H,9-10H2,1H3,(H,18,20)
InChIKeyCZEDPTXLUKAYIL-UHFFFAOYSA-N
XLogP2.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
CID 63311041
N-[[3-(bromomethyl)phenyl]methyl]-3,5-difluorobenzamide
CID 114313062
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide
CID 134067704
3-N-[(3-ethylphenyl)methyl]-1-N,5-dimethylbenzene-1,3-dicarboxamide
CID 91172760
2-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylbenzamide
CID 63311354
4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311474
4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 103796375
2,3,4-trifluoro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 79755129
N-[[3-(bromomethyl)phenyl]methyl]-3-chloro-5-methylbenzamide
CID 114313048
3,4-dihydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 103956150
4-(bromomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 107216600
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 107231351

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-5-methylbenzamide?
The IUPAC name of 3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-5-methylbenzamide (CID 115663338) is 3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-5-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-5-methylbenzamide?
The canonical SMILES for 3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-5-methylbenzamide is Cc1cc(F)cc(C(=O)NCc2cccc(CO)c2)c1.
What is the InChIKey of 3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-5-methylbenzamide?
The InChIKey is CZEDPTXLUKAYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11-5-14(8-15(17)6-11)16(20)18-9-12-3-2-4-13(7-12)10-19/h2-8,19H,9-10H2,1H3,(H,18,20).
What are the key properties of 3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-5-methylbenzamide?
3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-5-methylbenzamide has a molecular weight of 273.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-5-methylbenzamide is sourced from PubChem (CID 115663338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).