N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide

C16H13BrN2O — CID 46921176

IUPACN-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H13BrN2O/c17-13-7-5-11(6-8-13)10-18-16(20)15-9-12-3-1-2-4-14(12)19-15/h1-9,19H,10H2,(H,18,20)
InChIKeyLJSUNYFTLBVJAL-UHFFFAOYSA-N
MW329.20 g/mol
LogP3.86
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide

N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 46921176) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide
PubChem CID46921176
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC NameN-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H13BrN2O/c17-13-7-5-11(6-8-13)10-18-16(20)15-9-12-3-1-2-4-14(12)19-15/h1-9,19H,10H2,(H,18,20)
InChIKeyLJSUNYFTLBVJAL-UHFFFAOYSA-N
XLogP3.86
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[(1H-indole-2-carbonylamino)methyl]phenyl]boronic acid
CID 140927918
N-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731957
N-[(4-sulfamoylphenyl)methyl]-1H-indole-2-carboxamide
CID 23025509
N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
CID 42006153
7-amino-N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 63117429
6-bromo-N-[(3-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 175535401
N-(furan-3-ylmethyl)-1H-indole-2-carboxamide
CID 47034241
N-[(4-acetamidophenyl)methyl]-5-bromo-1H-indole-2-carboxamide
CID 24678417
N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 163196273
bis(N-benzyl-1H-indole-2-carboxamide);ethane;ethanol;1H-indole-2-carboxylic acid;methanol;phenylmethanamine
CID 159149105
N-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9483409
N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 9374796

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide (CID 46921176) is N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide is O=C(NCc1ccc(Br)cc1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is LJSUNYFTLBVJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c17-13-7-5-11(6-8-13)10-18-16(20)15-9-12-3-1-2-4-14(12)19-15/h1-9,19H,10H2,(H,18,20).
What are the key properties of N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide?
N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 329.20 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 46921176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).