5-bromo-N,N-diethyl-1H-indole-2-carboxamide

C13H15BrN2O — CID 46555997

IUPAC5-bromo-N,N-diethyl-1H-indole-2-carboxamide
SMILESCCN(CC)C(=O)c1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C13H15BrN2O/c1-3-16(4-2)13(17)12-8-9-7-10(14)5-6-11(9)15-12/h5-8,15H,3-4H2,1-2H3
InChIKeyYYVRKVYPYHQWCF-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.41
Rot. Bonds3

About 5-bromo-N,N-diethyl-1H-indole-2-carboxamide

5-bromo-N,N-diethyl-1H-indole-2-carboxamide (PubChem CID 46555997) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 5-bromo-N,N-diethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N,N-diethyl-1H-indole-2-carboxamide
PubChem CID46555997
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name5-bromo-N,N-diethyl-1H-indole-2-carboxamide
SMILESCCN(CC)C(=O)c1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C13H15BrN2O/c1-3-16(4-2)13(17)12-8-9-7-10(14)5-6-11(9)15-12/h5-8,15H,3-4H2,1-2H3
InChIKeyYYVRKVYPYHQWCF-UHFFFAOYSA-N
XLogP3.41
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-2-carboxamide
CID 111596618
3-[(6-bromo-1H-indole-2-carbonyl)-ethylamino]propanoic acid
CID 119191208
6-bromo-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1H-indole-2-carboxamide
CID 55556743
5-bromo-1H-indole-2-carbonyl chloride
CID 13466371
N-ethyl-N-(2-methylpropyl)-1H-indole-2-carboxamide
CID 43421005
5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-2-carboxamide
CID 63117755
5-amino-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide
CID 62056822
5-chloro-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide
CID 47024404
N-(2-amino-2-oxoethyl)-N-ethyl-1H-indole-2-carboxamide
CID 103103798
5-amino-N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 63117893
5-chloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-2-carboxamide
CID 134002575
5-amino-N-butan-2-yl-N-ethyl-1H-indole-2-carboxamide
CID 63117753

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-diethyl-1H-indole-2-carboxamide?
The IUPAC name of 5-bromo-N,N-diethyl-1H-indole-2-carboxamide (CID 46555997) is 5-bromo-N,N-diethyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-bromo-N,N-diethyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-bromo-N,N-diethyl-1H-indole-2-carboxamide is CCN(CC)C(=O)c1cc2cc(Br)ccc2[nH]1.
What is the InChIKey of 5-bromo-N,N-diethyl-1H-indole-2-carboxamide?
The InChIKey is YYVRKVYPYHQWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-3-16(4-2)13(17)12-8-9-7-10(14)5-6-11(9)15-12/h5-8,15H,3-4H2,1-2H3.
What are the key properties of 5-bromo-N,N-diethyl-1H-indole-2-carboxamide?
5-bromo-N,N-diethyl-1H-indole-2-carboxamide has a molecular weight of 295.18 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-diethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 46555997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).