2-[(6-fluoroindol-1-yl)methyl]benzamide

C16H13FN2O — CID 116619840

IUPAC2-[(6-fluoroindol-1-yl)methyl]benzamide
SMILESNC(=O)c1ccccc1Cn1ccc2ccc(F)cc21
InChIInChI=1S/C16H13FN2O/c17-13-6-5-11-7-8-19(15(11)9-13)10-12-3-1-2-4-14(12)16(18)20/h1-9H,10H2,(H2,18,20)
InChIKeyCNPWIRYTPNOLOC-UHFFFAOYSA-N
MW268.29 g/mol
LogP2.93
Rot. Bonds3

About 2-[(6-fluoroindol-1-yl)methyl]benzamide

2-[(6-fluoroindol-1-yl)methyl]benzamide (PubChem CID 116619840) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-[(6-fluoroindol-1-yl)methyl]benzamide.

Molecular Properties

Compound Name2-[(6-fluoroindol-1-yl)methyl]benzamide
PubChem CID116619840
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name2-[(6-fluoroindol-1-yl)methyl]benzamide
SMILESNC(=O)c1ccccc1Cn1ccc2ccc(F)cc21
InChIInChI=1S/C16H13FN2O/c17-13-6-5-11-7-8-19(15(11)9-13)10-12-3-1-2-4-14(12)16(18)20/h1-9H,10H2,(H2,18,20)
InChIKeyCNPWIRYTPNOLOC-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

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Related Compounds

2-[(6-methylindol-1-yl)methyl]benzamide
CID 116546878
2-[(6-cyanoindol-1-yl)methyl]benzamide
CID 107917663
4-fluoro-2-[(6-fluoroindol-1-yl)methyl]aniline
CID 43443827
2-[(6-chloroindol-1-yl)methyl]benzoic acid
CID 43473250
2-[(6-bromoindol-1-yl)methyl]benzoic acid
CID 62047229
2-(6-fluoroindol-1-yl)-1-(2-methylphenyl)ethanone
CID 62023950
1-(6-fluoroindol-1-yl)-3-phenylpropan-2-one
CID 62023949
1-[(2-carbamoylphenyl)methyl]-2-methylpyrrole-3-carboxylic acid
CID 114189487
2-(6-fluoroindol-1-yl)acetic acid
CID 6498201
3-fluoro-4-(indol-1-ylmethyl)benzamide
CID 63810466
2-[(4-methoxyindol-1-yl)methyl]benzamide
CID 83165956
8-[(6-fluoroindol-1-yl)methyl]quinoline
CID 116620052

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoroindol-1-yl)methyl]benzamide?
The IUPAC name of 2-[(6-fluoroindol-1-yl)methyl]benzamide (CID 116619840) is 2-[(6-fluoroindol-1-yl)methyl]benzamide.
What is the SMILES notation for 2-[(6-fluoroindol-1-yl)methyl]benzamide?
The canonical SMILES for 2-[(6-fluoroindol-1-yl)methyl]benzamide is NC(=O)c1ccccc1Cn1ccc2ccc(F)cc21.
What is the InChIKey of 2-[(6-fluoroindol-1-yl)methyl]benzamide?
The InChIKey is CNPWIRYTPNOLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-13-6-5-11-7-8-19(15(11)9-13)10-12-3-1-2-4-14(12)16(18)20/h1-9H,10H2,(H2,18,20).
What are the key properties of 2-[(6-fluoroindol-1-yl)methyl]benzamide?
2-[(6-fluoroindol-1-yl)methyl]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 2-[(6-fluoroindol-1-yl)methyl]benzamide is sourced from PubChem (CID 116619840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).