4,5-dibromo-N-(1H-indol-6-ylmethyl)-1H-pyrrole-2-carboxamide

C14H11Br2N3O — CID 155519985

IUPAC4,5-dibromo-N-(1H-indol-6-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1ccc2cc[nH]c2c1)c1cc(Br)c(Br)[nH]1
InChIInChI=1S/C14H11Br2N3O/c15-10-6-12(19-13(10)16)14(20)18-7-8-1-2-9-3-4-17-11(9)5-8/h1-6,17,19H,7H2,(H,18,20)
InChIKeyATWHQMJJWYAUEQ-UHFFFAOYSA-N
MW397.07 g/mol
LogP3.95
Rot. Bonds3

About 4,5-dibromo-N-(1H-indol-6-ylmethyl)-1H-pyrrole-2-carboxamide

4,5-dibromo-N-(1H-indol-6-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 155519985) has the molecular formula C14H11Br2N3O and a molecular weight of 397.07 g/mol. Its IUPAC name is 4,5-dibromo-N-(1H-indol-6-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(1H-indol-6-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID155519985
Molecular FormulaC14H11Br2N3O
Molecular Weight397.07 g/mol
Exact Mass394.93
IUPAC Name4,5-dibromo-N-(1H-indol-6-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1ccc2cc[nH]c2c1)c1cc(Br)c(Br)[nH]1
InChIInChI=1S/C14H11Br2N3O/c15-10-6-12(19-13(10)16)14(20)18-7-8-1-2-9-3-4-17-11(9)5-8/h1-6,17,19H,7H2,(H,18,20)
InChIKeyATWHQMJJWYAUEQ-UHFFFAOYSA-N
XLogP3.95
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.07
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 54366810
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CID 141037783
2,4,6-tribromo-N-(1H-indol-6-ylmethyl)aniline
CID 102909414
N-(1H-indol-6-ylmethyl)-6-phenylpyridazine-3-carboxamide
CID 68637667
3-[(1H-indole-6-carbonylamino)methyl]benzoic acid
CID 84761714
N-[(3-fluorophenyl)methyl]-1H-indole-6-carboxamide
CID 60764843
N-(1H-indol-6-ylmethyl)-2-[2-methoxyethyl(methyl)amino]acetamide
CID 91837553
N-[2-(1H-indol-6-ylmethylamino)ethyl]-2-methylpropanamide
CID 102909292
6-bromo-N-[(3-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 175535401
2-bromo-N-(1H-indol-6-ylmethyl)-5-nitroaniline
CID 102911634
N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 46921176

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(1H-indol-6-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(1H-indol-6-ylmethyl)-1H-pyrrole-2-carboxamide (CID 155519985) is 4,5-dibromo-N-(1H-indol-6-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(1H-indol-6-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(1H-indol-6-ylmethyl)-1H-pyrrole-2-carboxamide is O=C(NCc1ccc2cc[nH]c2c1)c1cc(Br)c(Br)[nH]1.
What is the InChIKey of 4,5-dibromo-N-(1H-indol-6-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is ATWHQMJJWYAUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2N3O/c15-10-6-12(19-13(10)16)14(20)18-7-8-1-2-9-3-4-17-11(9)5-8/h1-6,17,19H,7H2,(H,18,20).
What are the key properties of 4,5-dibromo-N-(1H-indol-6-ylmethyl)-1H-pyrrole-2-carboxamide?
4,5-dibromo-N-(1H-indol-6-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 397.07 g/mol, XLogP of 3.95, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(1H-indol-6-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 155519985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).