N-[2-(benzylcarbamoyl)phenyl]-1-methylindole-3-carboxamide

C24H21N3O2 — CID 24676596

IUPACN-[2-(benzylcarbamoyl)phenyl]-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c2ccccc21
InChIInChI=1S/C24H21N3O2/c1-27-16-20(18-11-6-8-14-22(18)27)24(29)26-21-13-7-5-12-19(21)23(28)25-15-17-9-3-2-4-10-17/h2-14,16H,15H2,1H3,(H,25,28)(H,26,29)
InChIKeyJYJYDYAZJFPNDH-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.36
Rot. Bonds5

About N-[2-(benzylcarbamoyl)phenyl]-1-methylindole-3-carboxamide

N-[2-(benzylcarbamoyl)phenyl]-1-methylindole-3-carboxamide (PubChem CID 24676596) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[2-(benzylcarbamoyl)phenyl]-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(benzylcarbamoyl)phenyl]-1-methylindole-3-carboxamide
PubChem CID24676596
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-[2-(benzylcarbamoyl)phenyl]-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c2ccccc21
InChIInChI=1S/C24H21N3O2/c1-27-16-20(18-11-6-8-14-22(18)27)24(29)26-21-13-7-5-12-19(21)23(28)25-15-17-9-3-2-4-10-17/h2-14,16H,15H2,1H3,(H,25,28)(H,26,29)
InChIKeyJYJYDYAZJFPNDH-UHFFFAOYSA-N
XLogP4.36
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154
1-methyl-N-phenylindole-3-carboxamide
CID 9038340
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
1-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]indole-3-carboxamide
CID 34640881
1-methyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]indole-3-carboxamide
CID 55736422
1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-3-carboxamide
CID 35358555
N-benzyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 895615
2-hydroxy-2-methyl-3-[(1-methylindole-3-carbonyl)amino]propanoic acid
CID 66173597
N-benzyl-2-(phenylcarbamoylamino)benzamide
CID 895604
1-methyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]indole-3-carboxamide
CID 51120858
N-benzyl-2-[(4-bromobenzoyl)amino]benzamide
CID 17256451
N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694467

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylcarbamoyl)phenyl]-1-methylindole-3-carboxamide?
The IUPAC name of N-[2-(benzylcarbamoyl)phenyl]-1-methylindole-3-carboxamide (CID 24676596) is N-[2-(benzylcarbamoyl)phenyl]-1-methylindole-3-carboxamide.
What is the SMILES notation for N-[2-(benzylcarbamoyl)phenyl]-1-methylindole-3-carboxamide?
The canonical SMILES for N-[2-(benzylcarbamoyl)phenyl]-1-methylindole-3-carboxamide is Cn1cc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c2ccccc21.
What is the InChIKey of N-[2-(benzylcarbamoyl)phenyl]-1-methylindole-3-carboxamide?
The InChIKey is JYJYDYAZJFPNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-27-16-20(18-11-6-8-14-22(18)27)24(29)26-21-13-7-5-12-19(21)23(28)25-15-17-9-3-2-4-10-17/h2-14,16H,15H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[2-(benzylcarbamoyl)phenyl]-1-methylindole-3-carboxamide?
N-[2-(benzylcarbamoyl)phenyl]-1-methylindole-3-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylcarbamoyl)phenyl]-1-methylindole-3-carboxamide is sourced from PubChem (CID 24676596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).