3-fluoro-4-(indol-1-ylmethyl)benzamide

C16H13FN2O — CID 63810466

IUPAC3-fluoro-4-(indol-1-ylmethyl)benzamide
SMILESNC(=O)c1ccc(Cn2ccc3ccccc32)c(F)c1
InChIInChI=1S/C16H13FN2O/c17-14-9-12(16(18)20)5-6-13(14)10-19-8-7-11-3-1-2-4-15(11)19/h1-9H,10H2,(H2,18,20)
InChIKeyVSQGNUWKPMWQIK-UHFFFAOYSA-N
MW268.29 g/mol
LogP2.93
Rot. Bonds3

About 3-fluoro-4-(indol-1-ylmethyl)benzamide

3-fluoro-4-(indol-1-ylmethyl)benzamide (PubChem CID 63810466) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 3-fluoro-4-(indol-1-ylmethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-(indol-1-ylmethyl)benzamide
PubChem CID63810466
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name3-fluoro-4-(indol-1-ylmethyl)benzamide
SMILESNC(=O)c1ccc(Cn2ccc3ccccc32)c(F)c1
InChIInChI=1S/C16H13FN2O/c17-14-9-12(16(18)20)5-6-13(14)10-19-8-7-11-3-1-2-4-15(11)19/h1-9H,10H2,(H2,18,20)
InChIKeyVSQGNUWKPMWQIK-UHFFFAOYSA-N
XLogP2.93
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-4-(indol-1-ylmethyl)benzamide 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

4-[(6-bromoindol-1-yl)methyl]-3-fluorobenzamide
CID 116621806
3-fluoro-4-[(2-oxopyrimidin-1-yl)methyl]benzamide
CID 116618428
4-fluoro-3-[(5-methylindol-1-yl)methyl]benzamide
CID 116622998
4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide
CID 114761112
3-fluoro-4-[(4-oxo-1-pyridinyl)methyl]benzamide
CID 116622136
2-[(6-fluoroindol-1-yl)methyl]benzamide
CID 116619840
3-[(4-chloroindol-1-yl)methyl]-4-fluorobenzamide
CID 116623731
4-[(6-bromoindol-1-yl)methyl]-3-methylbenzamide
CID 114485978
1-[(2,4-difluorophenyl)methyl]indole-5-carboximidamide
CID 142911354
2-[2-(indol-1-ylmethyl)phenyl]acetohydrazide
CID 115465575
2-fluoro-3-(indol-1-ylmethyl)aniline
CID 107347629
1-[[4-(aminomethyl)phenyl]methyl]indole-5-carboxamide
CID 171342626

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(indol-1-ylmethyl)benzamide?
The IUPAC name of 3-fluoro-4-(indol-1-ylmethyl)benzamide (CID 63810466) is 3-fluoro-4-(indol-1-ylmethyl)benzamide.
What is the SMILES notation for 3-fluoro-4-(indol-1-ylmethyl)benzamide?
The canonical SMILES for 3-fluoro-4-(indol-1-ylmethyl)benzamide is NC(=O)c1ccc(Cn2ccc3ccccc32)c(F)c1.
What is the InChIKey of 3-fluoro-4-(indol-1-ylmethyl)benzamide?
The InChIKey is VSQGNUWKPMWQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-14-9-12(16(18)20)5-6-13(14)10-19-8-7-11-3-1-2-4-15(11)19/h1-9H,10H2,(H2,18,20).
What are the key properties of 3-fluoro-4-(indol-1-ylmethyl)benzamide?
3-fluoro-4-(indol-1-ylmethyl)benzamide has a molecular weight of 268.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(indol-1-ylmethyl)benzamide is sourced from PubChem (CID 63810466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).