1-[(4-bromophenyl)methyl]indole-3-carboxamide

C16H13BrN2O — CID 91690104

IUPAC1-[(4-bromophenyl)methyl]indole-3-carboxamide
SMILESNC(=O)c1cn(Cc2ccc(Br)cc2)c2ccccc12
InChIInChI=1S/C16H13BrN2O/c17-12-7-5-11(6-8-12)9-19-10-14(16(18)20)13-3-1-2-4-15(13)19/h1-8,10H,9H2,(H2,18,20)
InChIKeyNCPWKGYBQZBBPL-UHFFFAOYSA-N
MW329.20 g/mol
LogP3.55
Rot. Bonds3

About 1-[(4-bromophenyl)methyl]indole-3-carboxamide

1-[(4-bromophenyl)methyl]indole-3-carboxamide (PubChem CID 91690104) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]indole-3-carboxamide
PubChem CID91690104
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name1-[(4-bromophenyl)methyl]indole-3-carboxamide
SMILESNC(=O)c1cn(Cc2ccc(Br)cc2)c2ccccc12
InChIInChI=1S/C16H13BrN2O/c17-12-7-5-11(6-8-12)9-19-10-14(16(18)20)13-3-1-2-4-15(13)19/h1-8,10H,9H2,(H2,18,20)
InChIKeyNCPWKGYBQZBBPL-UHFFFAOYSA-N
XLogP3.55
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-[(4-bromophenyl)methyl]indole-3-carboxylate
CID 973154
2-[[1-[(4-bromophenyl)methyl]indole-3-carbonyl]amino]benzoic acid
CID 172864246
N-(4-bromophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxoacetamide
CID 46227998
1-(2-hydroxyethyl)indole-3-carboxamide
CID 172792494
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl chloride
CID 10980477
2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-1-phenylethanone
CID 4199281
1-benzyl-N'-(2-bromobenzoyl)indole-3-carbohydrazide
CID 26718991
2-[(1-benzylindole-3-carbonyl)amino]propanediamide
CID 31404077
1-[1-[(4-fluorophenyl)methyl]indol-3-yl]propan-1-one
CID 955251
[1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone
CID 963177
4-[[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]benzamide
CID 10181188
2-(4-bromophenyl)-N-[(Z)-[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 98050723

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]indole-3-carboxamide?
The IUPAC name of 1-[(4-bromophenyl)methyl]indole-3-carboxamide (CID 91690104) is 1-[(4-bromophenyl)methyl]indole-3-carboxamide.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]indole-3-carboxamide?
The canonical SMILES for 1-[(4-bromophenyl)methyl]indole-3-carboxamide is NC(=O)c1cn(Cc2ccc(Br)cc2)c2ccccc12.
What is the InChIKey of 1-[(4-bromophenyl)methyl]indole-3-carboxamide?
The InChIKey is NCPWKGYBQZBBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c17-12-7-5-11(6-8-12)9-19-10-14(16(18)20)13-3-1-2-4-15(13)19/h1-8,10H,9H2,(H2,18,20).
What are the key properties of 1-[(4-bromophenyl)methyl]indole-3-carboxamide?
1-[(4-bromophenyl)methyl]indole-3-carboxamide has a molecular weight of 329.20 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]indole-3-carboxamide is sourced from PubChem (CID 91690104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).