1-benzyl-N-[4-(dimethylcarbamoyl)phenyl]indole-3-carboxamide

C25H23N3O2 — CID 25409377

IUPAC1-benzyl-N-[4-(dimethylcarbamoyl)phenyl]indole-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C25H23N3O2/c1-27(2)25(30)19-12-14-20(15-13-19)26-24(29)22-17-28(16-18-8-4-3-5-9-18)23-11-7-6-10-21(22)23/h3-15,17H,16H2,1-2H3,(H,26,29)
InChIKeyZLBAVHBIELOWRZ-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.64
Rot. Bonds5

About 1-benzyl-N-[4-(dimethylcarbamoyl)phenyl]indole-3-carboxamide

1-benzyl-N-[4-(dimethylcarbamoyl)phenyl]indole-3-carboxamide (PubChem CID 25409377) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-benzyl-N-[4-(dimethylcarbamoyl)phenyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[4-(dimethylcarbamoyl)phenyl]indole-3-carboxamide
PubChem CID25409377
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name1-benzyl-N-[4-(dimethylcarbamoyl)phenyl]indole-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C25H23N3O2/c1-27(2)25(30)19-12-14-20(15-13-19)26-24(29)22-17-28(16-18-8-4-3-5-9-18)23-11-7-6-10-21(22)23/h3-15,17H,16H2,1-2H3,(H,26,29)
InChIKeyZLBAVHBIELOWRZ-UHFFFAOYSA-N
XLogP4.64
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-anilino-2-oxoethyl)-1-benzyl-N-methylindole-3-carboxamide
CID 46418266
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-benzylindole-3-carboxamide
CID 55564494
1-benzyl-N-propylindole-3-carboxamide
CID 24654500
1-benzyl-N-prop-2-ynylindole-3-carboxamide
CID 32985636
1-benzyl-N-methyl-N-phenylindole-3-carboxamide
CID 26719094
1-benzyl-N-(1H-indol-6-yl)indole-3-carboxamide
CID 39333465
1-benzyl-N-(2,3-dimethylphenyl)indole-3-carboxamide
CID 24661406
[4-[(1-benzylindole-3-carbonyl)amino]phenyl]methyl-dimethyl-(oxan-4-yl)azanium
CID 25266330
N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-benzylindole-3-carboxamide
CID 129375242
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-benzylindole-3-carboxamide
CID 26783316
2-chloro-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 8698586
1-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-(2-phenylethyl)indole-3-carboxamide
CID 174999219

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[4-(dimethylcarbamoyl)phenyl]indole-3-carboxamide?
The IUPAC name of 1-benzyl-N-[4-(dimethylcarbamoyl)phenyl]indole-3-carboxamide (CID 25409377) is 1-benzyl-N-[4-(dimethylcarbamoyl)phenyl]indole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[4-(dimethylcarbamoyl)phenyl]indole-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[4-(dimethylcarbamoyl)phenyl]indole-3-carboxamide is CN(C)C(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 1-benzyl-N-[4-(dimethylcarbamoyl)phenyl]indole-3-carboxamide?
The InChIKey is ZLBAVHBIELOWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-27(2)25(30)19-12-14-20(15-13-19)26-24(29)22-17-28(16-18-8-4-3-5-9-18)23-11-7-6-10-21(22)23/h3-15,17H,16H2,1-2H3,(H,26,29).
What are the key properties of 1-benzyl-N-[4-(dimethylcarbamoyl)phenyl]indole-3-carboxamide?
1-benzyl-N-[4-(dimethylcarbamoyl)phenyl]indole-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[4-(dimethylcarbamoyl)phenyl]indole-3-carboxamide is sourced from PubChem (CID 25409377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).