1-benzoyl-N,N-dibenzylindole-3-carboxamide

C30H24N2O2 — CID 164674380

IUPAC1-benzoyl-N,N-dibenzylindole-3-carboxamide
SMILESO=C(c1cn(C(=O)c2ccccc2)c2ccccc12)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C30H24N2O2/c33-29(25-16-8-3-9-17-25)32-22-27(26-18-10-11-19-28(26)32)30(34)31(20-23-12-4-1-5-13-23)21-24-14-6-2-7-15-24/h1-19,22H,20-21H2
InChIKeyQASDPNFVKLMNGB-UHFFFAOYSA-N
MW444.53 g/mol
LogP6.17
Rot. Bonds6

About 1-benzoyl-N,N-dibenzylindole-3-carboxamide

1-benzoyl-N,N-dibenzylindole-3-carboxamide (PubChem CID 164674380) has the molecular formula C30H24N2O2 and a molecular weight of 444.53 g/mol. Its IUPAC name is 1-benzoyl-N,N-dibenzylindole-3-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N,N-dibenzylindole-3-carboxamide
PubChem CID164674380
Molecular FormulaC30H24N2O2
Molecular Weight444.53 g/mol
Exact Mass444.18
IUPAC Name1-benzoyl-N,N-dibenzylindole-3-carboxamide
SMILESO=C(c1cn(C(=O)c2ccccc2)c2ccccc12)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C30H24N2O2/c33-29(25-16-8-3-9-17-25)32-22-27(26-18-10-11-19-28(26)32)30(34)31(20-23-12-4-1-5-13-23)21-24-14-6-2-7-15-24/h1-19,22H,20-21H2
InChIKeyQASDPNFVKLMNGB-UHFFFAOYSA-N
XLogP6.17
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.53
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzoyl-N,N-dibenzylindole-3-carboxamide 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

1-acetyl-N,N-diethylindole-3-carboxamide
CID 113207891
N-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-methylindole-3-carboxamide
CID 42785998
[3-(bromomethyl)indol-1-yl]-phenylmethanone
CID 14948482
1-(1-benzoylindol-3-yl)-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 506456
1-benzyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)indole-3-carboxamide
CID 78820157
[3-(aminomethyl)indol-1-yl]-phenylmethanone;hydrochloride
CID 12504715
[3-[(E)-(dimethylhydrazinylidene)methyl]indol-1-yl]-phenylmethanone
CID 14613421
N-benzyl-1-methyl-N-propan-2-ylindole-3-carboxamide
CID 113205582
4-(dibenzylcarbamoyl)benzoic acid
CID 67563328
methyl 1-(4-iodobenzoyl)indole-3-carboxylate
CID 1154177
methyl 1-(4-methoxybenzoyl)indole-3-carboxylate
CID 704184
1-phenylmethoxycarbonylindole-3-carboxylate
CID 86198178

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N,N-dibenzylindole-3-carboxamide?
The IUPAC name of 1-benzoyl-N,N-dibenzylindole-3-carboxamide (CID 164674380) is 1-benzoyl-N,N-dibenzylindole-3-carboxamide.
What is the SMILES notation for 1-benzoyl-N,N-dibenzylindole-3-carboxamide?
The canonical SMILES for 1-benzoyl-N,N-dibenzylindole-3-carboxamide is O=C(c1cn(C(=O)c2ccccc2)c2ccccc12)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1-benzoyl-N,N-dibenzylindole-3-carboxamide?
The InChIKey is QASDPNFVKLMNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O2/c33-29(25-16-8-3-9-17-25)32-22-27(26-18-10-11-19-28(26)32)30(34)31(20-23-12-4-1-5-13-23)21-24-14-6-2-7-15-24/h1-19,22H,20-21H2.
What are the key properties of 1-benzoyl-N,N-dibenzylindole-3-carboxamide?
1-benzoyl-N,N-dibenzylindole-3-carboxamide has a molecular weight of 444.53 g/mol, XLogP of 6.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N,N-dibenzylindole-3-carboxamide is sourced from PubChem (CID 164674380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).