5,6-dibromo-N-[3-(dimethylcarbamoyl)phenyl]-1H-indole-3-carboxamide

C18H15Br2N3O2 — CID 134046254

IUPAC5,6-dibromo-N-[3-(dimethylcarbamoyl)phenyl]-1H-indole-3-carboxamide
SMILESCN(C)C(=O)c1cccc(NC(=O)c2c[nH]c3cc(Br)c(Br)cc23)c1
InChIInChI=1S/C18H15Br2N3O2/c1-23(2)18(25)10-4-3-5-11(6-10)22-17(24)13-9-21-16-8-15(20)14(19)7-12(13)16/h3-9,21H,1-2H3,(H,22,24)
InChIKeyPYAZEQMJAYXUSF-UHFFFAOYSA-N
MW465.15 g/mol
LogP4.65
Rot. Bonds3

About 5,6-dibromo-N-[3-(dimethylcarbamoyl)phenyl]-1H-indole-3-carboxamide

5,6-dibromo-N-[3-(dimethylcarbamoyl)phenyl]-1H-indole-3-carboxamide (PubChem CID 134046254) has the molecular formula C18H15Br2N3O2 and a molecular weight of 465.15 g/mol. Its IUPAC name is 5,6-dibromo-N-[3-(dimethylcarbamoyl)phenyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5,6-dibromo-N-[3-(dimethylcarbamoyl)phenyl]-1H-indole-3-carboxamide
PubChem CID134046254
Molecular FormulaC18H15Br2N3O2
Molecular Weight465.15 g/mol
Exact Mass462.95
IUPAC Name5,6-dibromo-N-[3-(dimethylcarbamoyl)phenyl]-1H-indole-3-carboxamide
SMILESCN(C)C(=O)c1cccc(NC(=O)c2c[nH]c3cc(Br)c(Br)cc23)c1
InChIInChI=1S/C18H15Br2N3O2/c1-23(2)18(25)10-4-3-5-11(6-10)22-17(24)13-9-21-16-8-15(20)14(19)7-12(13)16/h3-9,21H,1-2H3,(H,22,24)
InChIKeyPYAZEQMJAYXUSF-UHFFFAOYSA-N
XLogP4.65
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.15
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetylphenyl)-5-chloro-1H-indole-3-carboxamide
CID 113205903
4-amino-N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide
CID 61110887
N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide
CID 60786152
6-amino-N-(3-bromophenyl)-1H-indole-3-carboxamide
CID 61092255
methyl 3-[(5-fluoro-1H-indole-3-carbonyl)amino]benzoate
CID 113205725
3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-5-fluorobenzamide
CID 55706623
3-[(4-acetamidobenzoyl)amino]-N,N-dimethylbenzamide
CID 134037398
N-(3-acetamidophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113207001
5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-methylthiophene-2-carboxamide
CID 79914678
5,6-dibromo-N-tert-butyl-1H-indole-3-carboxamide
CID 60676008
N-[3-(dimethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 30378480
N,N-dimethyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 17231735

Frequently Asked Questions

What is the IUPAC name of 5,6-dibromo-N-[3-(dimethylcarbamoyl)phenyl]-1H-indole-3-carboxamide?
The IUPAC name of 5,6-dibromo-N-[3-(dimethylcarbamoyl)phenyl]-1H-indole-3-carboxamide (CID 134046254) is 5,6-dibromo-N-[3-(dimethylcarbamoyl)phenyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 5,6-dibromo-N-[3-(dimethylcarbamoyl)phenyl]-1H-indole-3-carboxamide?
The canonical SMILES for 5,6-dibromo-N-[3-(dimethylcarbamoyl)phenyl]-1H-indole-3-carboxamide is CN(C)C(=O)c1cccc(NC(=O)c2c[nH]c3cc(Br)c(Br)cc23)c1.
What is the InChIKey of 5,6-dibromo-N-[3-(dimethylcarbamoyl)phenyl]-1H-indole-3-carboxamide?
The InChIKey is PYAZEQMJAYXUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Br2N3O2/c1-23(2)18(25)10-4-3-5-11(6-10)22-17(24)13-9-21-16-8-15(20)14(19)7-12(13)16/h3-9,21H,1-2H3,(H,22,24).
What are the key properties of 5,6-dibromo-N-[3-(dimethylcarbamoyl)phenyl]-1H-indole-3-carboxamide?
5,6-dibromo-N-[3-(dimethylcarbamoyl)phenyl]-1H-indole-3-carboxamide has a molecular weight of 465.15 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromo-N-[3-(dimethylcarbamoyl)phenyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 134046254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).