6-bromo-N-[(3-bromophenyl)methyl]-1H-indole-2-carboxamide

C16H12Br2N2O — CID 175535401

IUPAC6-bromo-N-[(3-bromophenyl)methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1cccc(Br)c1)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C16H12Br2N2O/c17-12-3-1-2-10(6-12)9-19-16(21)15-7-11-4-5-13(18)8-14(11)20-15/h1-8,20H,9H2,(H,19,21)
InChIKeyUQXOWLWPJRANGL-UHFFFAOYSA-N
MW408.09 g/mol
LogP4.62
Rot. Bonds3

About 6-bromo-N-[(3-bromophenyl)methyl]-1H-indole-2-carboxamide

6-bromo-N-[(3-bromophenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 175535401) has the molecular formula C16H12Br2N2O and a molecular weight of 408.09 g/mol. Its IUPAC name is 6-bromo-N-[(3-bromophenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(3-bromophenyl)methyl]-1H-indole-2-carboxamide
PubChem CID175535401
Molecular FormulaC16H12Br2N2O
Molecular Weight408.09 g/mol
Exact Mass405.93
IUPAC Name6-bromo-N-[(3-bromophenyl)methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1cccc(Br)c1)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C16H12Br2N2O/c17-12-3-1-2-10(6-12)9-19-16(21)15-7-11-4-5-13(18)8-14(11)20-15/h1-8,20H,9H2,(H,19,21)
InChIKeyUQXOWLWPJRANGL-UHFFFAOYSA-N
XLogP4.62
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.09
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 46921176
6-bromo-N-(3-bromophenyl)-1H-indole-2-carboxamide
CID 175535404
6-bromo-N-(3-hydroxypropyl)-1H-indole-2-carboxamide
CID 78854248
N-[(3-bromo-5-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxamide
CID 55953581
6-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 166373419
6-bromo-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 86953104
2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide
CID 107939159
6-bromo-N-[2-(1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide
CID 55558900
N-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxamide
CID 55953711
N-[(4-acetamidophenyl)methyl]-5-bromo-1H-indole-2-carboxamide
CID 24678417
6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide
CID 135324687
7-amino-N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 63117429

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(3-bromophenyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-bromo-N-[(3-bromophenyl)methyl]-1H-indole-2-carboxamide (CID 175535401) is 6-bromo-N-[(3-bromophenyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[(3-bromophenyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-bromo-N-[(3-bromophenyl)methyl]-1H-indole-2-carboxamide is O=C(NCc1cccc(Br)c1)c1cc2ccc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-N-[(3-bromophenyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is UQXOWLWPJRANGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2N2O/c17-12-3-1-2-10(6-12)9-19-16(21)15-7-11-4-5-13(18)8-14(11)20-15/h1-8,20H,9H2,(H,19,21).
What are the key properties of 6-bromo-N-[(3-bromophenyl)methyl]-1H-indole-2-carboxamide?
6-bromo-N-[(3-bromophenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 408.09 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(3-bromophenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 175535401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).