4-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide

C16H15BrClN3O — CID 167790661

IUPAC4-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide
SMILESCN(Cc1cc(Cl)cn1C)C(=O)c1c[nH]c2cccc(Br)c12
InChIInChI=1S/C16H15BrClN3O/c1-20-8-10(18)6-11(20)9-21(2)16(22)12-7-19-14-5-3-4-13(17)15(12)14/h3-8,19H,9H2,1-2H3
InChIKeyVFKKJWSGNNPKKN-UHFFFAOYSA-N
MW380.67 g/mol
LogP4.19
Rot. Bonds3

About 4-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide

4-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide (PubChem CID 167790661) has the molecular formula C16H15BrClN3O and a molecular weight of 380.67 g/mol. Its IUPAC name is 4-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide
PubChem CID167790661
Molecular FormulaC16H15BrClN3O
Molecular Weight380.67 g/mol
Exact Mass379.01
IUPAC Name4-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide
SMILESCN(Cc1cc(Cl)cn1C)C(=O)c1c[nH]c2cccc(Br)c12
InChIInChI=1S/C16H15BrClN3O/c1-20-8-10(18)6-11(20)9-21(2)16(22)12-7-19-14-5-3-4-13(17)15(12)14/h3-8,19H,9H2,1-2H3
InChIKeyVFKKJWSGNNPKKN-UHFFFAOYSA-N
XLogP4.19
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.67
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 154801278
2-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-4-carboxamide
CID 166404983
2-bromo-1-(4-bromo-1H-indol-3-yl)ethanone
CID 115351482
(4-bromo-1H-indol-3-yl)-(2-bromo-5-methylphenyl)methanone
CID 115351639
1-(4-bromo-1H-indol-3-yl)-2,2-dimethylpropan-1-one
CID 115351529
(4-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone
CID 113292183
N-[(3-bromophenyl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 61042579
(3E)-4-bromo-N-hydroxy-1H-indole-3-carboximidoyl chloride
CID 137028255
(2-amino-3-chlorophenyl)-(4-bromo-1H-indol-3-yl)methanone
CID 115549855
2-[[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylamino]-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110046531
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 17480468
N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-5-fluoro-2-hydroxy-N-methylbenzamide
CID 75379741

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide?
The IUPAC name of 4-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide (CID 167790661) is 4-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide is CN(Cc1cc(Cl)cn1C)C(=O)c1c[nH]c2cccc(Br)c12.
What is the InChIKey of 4-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide?
The InChIKey is VFKKJWSGNNPKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3O/c1-20-8-10(18)6-11(20)9-21(2)16(22)12-7-19-14-5-3-4-13(17)15(12)14/h3-8,19H,9H2,1-2H3.
What are the key properties of 4-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide?
4-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide has a molecular weight of 380.67 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 167790661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).