4-fluoro-3-[(5-methylindol-1-yl)methyl]benzamide

C17H15FN2O — CID 116622998

IUPAC4-fluoro-3-[(5-methylindol-1-yl)methyl]benzamide
SMILESCc1ccc2c(ccn2Cc2cc(C(N)=O)ccc2F)c1
InChIInChI=1S/C17H15FN2O/c1-11-2-5-16-12(8-11)6-7-20(16)10-14-9-13(17(19)21)3-4-15(14)18/h2-9H,10H2,1H3,(H2,19,21)
InChIKeyZPXFEONTPSKSTB-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.24
Rot. Bonds3

About 4-fluoro-3-[(5-methylindol-1-yl)methyl]benzamide

4-fluoro-3-[(5-methylindol-1-yl)methyl]benzamide (PubChem CID 116622998) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-fluoro-3-[(5-methylindol-1-yl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[(5-methylindol-1-yl)methyl]benzamide
PubChem CID116622998
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name4-fluoro-3-[(5-methylindol-1-yl)methyl]benzamide
SMILESCc1ccc2c(ccn2Cc2cc(C(N)=O)ccc2F)c1
InChIInChI=1S/C17H15FN2O/c1-11-2-5-16-12(8-11)6-7-20(16)10-14-9-13(17(19)21)3-4-15(14)18/h2-9H,10H2,1H3,(H2,19,21)
InChIKeyZPXFEONTPSKSTB-UHFFFAOYSA-N
XLogP3.24
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-3-[(5-methylindol-1-yl)methyl]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-fluoro-3-[(2-methylindol-1-yl)methyl]benzamide
CID 63810152
3-fluoro-4-(indol-1-ylmethyl)benzamide
CID 63810466
4-fluoro-3-[(2-methylimidazol-1-yl)methyl]benzamide
CID 63811780
3-[(4-chloroindol-1-yl)methyl]-4-fluorobenzamide
CID 116623731
4-fluoro-2-[(5-methylindol-1-yl)methyl]benzoic acid
CID 107908248
[4-fluoro-2-[(5-methylindol-1-yl)methyl]phenyl]methanamine
CID 64764833
3-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-4-fluorobenzamide
CID 63810922
1-[[4-(aminomethyl)phenyl]methyl]indole-5-carboxamide
CID 171342626
5-methyl-4-[(5-methylindol-1-yl)methyl]thiophene-2-carboxylic acid
CID 80731244
4-[(6-bromoindol-1-yl)methyl]-3-fluorobenzamide
CID 116621806
1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole
CID 102620300
[1-[(2,5-difluorophenyl)methyl]indol-5-yl]methanol
CID 102912443

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(5-methylindol-1-yl)methyl]benzamide?
The IUPAC name of 4-fluoro-3-[(5-methylindol-1-yl)methyl]benzamide (CID 116622998) is 4-fluoro-3-[(5-methylindol-1-yl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-3-[(5-methylindol-1-yl)methyl]benzamide?
The canonical SMILES for 4-fluoro-3-[(5-methylindol-1-yl)methyl]benzamide is Cc1ccc2c(ccn2Cc2cc(C(N)=O)ccc2F)c1.
What is the InChIKey of 4-fluoro-3-[(5-methylindol-1-yl)methyl]benzamide?
The InChIKey is ZPXFEONTPSKSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-11-2-5-16-12(8-11)6-7-20(16)10-14-9-13(17(19)21)3-4-15(14)18/h2-9H,10H2,1H3,(H2,19,21).
What are the key properties of 4-fluoro-3-[(5-methylindol-1-yl)methyl]benzamide?
4-fluoro-3-[(5-methylindol-1-yl)methyl]benzamide has a molecular weight of 282.32 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(5-methylindol-1-yl)methyl]benzamide is sourced from PubChem (CID 116622998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).