N-benzyl-1,5-dimethylindole-2-carboxamide

C18H18N2O — CID 7329071

IUPACN-benzyl-1,5-dimethylindole-2-carboxamide
SMILESCc1ccc2c(c1)cc(C(=O)NCc1ccccc1)n2C
InChIInChI=1S/C18H18N2O/c1-13-8-9-16-15(10-13)11-17(20(16)2)18(21)19-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,19,21)
InChIKeyRFGLQYRKIQRSBI-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.42
Rot. Bonds3

About N-benzyl-1,5-dimethylindole-2-carboxamide

N-benzyl-1,5-dimethylindole-2-carboxamide (PubChem CID 7329071) has the molecular formula C18H18N2O and a molecular weight of 278.35 g/mol. Its IUPAC name is N-benzyl-1,5-dimethylindole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1,5-dimethylindole-2-carboxamide
PubChem CID7329071
Molecular FormulaC18H18N2O
Molecular Weight278.35 g/mol
Exact Mass278.14
IUPAC NameN-benzyl-1,5-dimethylindole-2-carboxamide
SMILESCc1ccc2c(c1)cc(C(=O)NCc1ccccc1)n2C
InChIInChI=1S/C18H18N2O/c1-13-8-9-16-15(10-13)11-17(20(16)2)18(21)19-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,19,21)
InChIKeyRFGLQYRKIQRSBI-UHFFFAOYSA-N
XLogP3.42
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-1,5-dimethylindole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,5-dimethylindole-2-carboxamide?
The IUPAC name of N-benzyl-1,5-dimethylindole-2-carboxamide (CID 7329071) is N-benzyl-1,5-dimethylindole-2-carboxamide.
What is the SMILES notation for N-benzyl-1,5-dimethylindole-2-carboxamide?
The canonical SMILES for N-benzyl-1,5-dimethylindole-2-carboxamide is Cc1ccc2c(c1)cc(C(=O)NCc1ccccc1)n2C.
What is the InChIKey of N-benzyl-1,5-dimethylindole-2-carboxamide?
The InChIKey is RFGLQYRKIQRSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13-8-9-16-15(10-13)11-17(20(16)2)18(21)19-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,19,21).
What are the key properties of N-benzyl-1,5-dimethylindole-2-carboxamide?
N-benzyl-1,5-dimethylindole-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,5-dimethylindole-2-carboxamide is sourced from PubChem (CID 7329071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).