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

C17H13N3O — CID 107917663

IUPAC2-[(6-cyanoindol-1-yl)methyl]benzamide
SMILESN#Cc1ccc2ccn(Cc3ccccc3C(N)=O)c2c1
InChIInChI=1S/C17H13N3O/c18-10-12-5-6-13-7-8-20(16(13)9-12)11-14-3-1-2-4-15(14)17(19)21/h1-9H,11H2,(H2,19,21)
InChIKeyDNWFEESWODCHQX-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.66
Rot. Bonds3

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

2-[(6-cyanoindol-1-yl)methyl]benzamide (PubChem CID 107917663) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[(6-cyanoindol-1-yl)methyl]benzamide.

Molecular Properties

Compound Name2-[(6-cyanoindol-1-yl)methyl]benzamide
PubChem CID107917663
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name2-[(6-cyanoindol-1-yl)methyl]benzamide
SMILESN#Cc1ccc2ccn(Cc3ccccc3C(N)=O)c2c1
InChIInChI=1S/C17H13N3O/c18-10-12-5-6-13-7-8-20(16(13)9-12)11-14-3-1-2-4-15(14)17(19)21/h1-9H,11H2,(H2,19,21)
InChIKeyDNWFEESWODCHQX-UHFFFAOYSA-N
XLogP2.66
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-methylindol-1-yl)methyl]benzamide
CID 116546878
2-[(6-fluoroindol-1-yl)methyl]benzamide
CID 116619840
1-[2-(2-bromophenyl)-2-oxoethyl]indole-6-carbonitrile
CID 107916847
1-(naphthalen-2-ylmethyl)indole-6-carbonitrile
CID 91690044
1-(3-methyl-2-oxobutyl)indole-6-carbonitrile
CID 107916815
1-[(2-amino-5-fluorophenyl)methyl]indole-6-carbonitrile
CID 107916532
4-[(6-aminoindol-1-yl)methyl]-3-methylbenzonitrile
CID 114480884
1-[(2-fluoro-3-methoxyphenyl)methyl]indole-6-carbonitrile
CID 107917049
1-[(2-methoxy-3-pyridinyl)methyl]indole-6-carbonitrile
CID 107917126
2-[(6-chloroindol-1-yl)methyl]benzoic acid
CID 43473250
2-[(6-bromoindol-1-yl)methyl]benzoic acid
CID 62047229
1-[(2-chloro-4-fluorophenyl)methyl]indole-6-carbonitrile
CID 91690038

Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyanoindol-1-yl)methyl]benzamide?
The IUPAC name of 2-[(6-cyanoindol-1-yl)methyl]benzamide (CID 107917663) is 2-[(6-cyanoindol-1-yl)methyl]benzamide.
What is the SMILES notation for 2-[(6-cyanoindol-1-yl)methyl]benzamide?
The canonical SMILES for 2-[(6-cyanoindol-1-yl)methyl]benzamide is N#Cc1ccc2ccn(Cc3ccccc3C(N)=O)c2c1.
What is the InChIKey of 2-[(6-cyanoindol-1-yl)methyl]benzamide?
The InChIKey is DNWFEESWODCHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c18-10-12-5-6-13-7-8-20(16(13)9-12)11-14-3-1-2-4-15(14)17(19)21/h1-9H,11H2,(H2,19,21).
What are the key properties of 2-[(6-cyanoindol-1-yl)methyl]benzamide?
2-[(6-cyanoindol-1-yl)methyl]benzamide has a molecular weight of 275.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyanoindol-1-yl)methyl]benzamide is sourced from PubChem (CID 107917663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).