N-(4-bromophenyl)-1-methylindole-7-carboxamide

C16H13BrN2O — CID 112521009

IUPACN-(4-bromophenyl)-1-methylindole-7-carboxamide
SMILESCn1ccc2cccc(C(=O)Nc3ccc(Br)cc3)c21
InChIInChI=1S/C16H13BrN2O/c1-19-10-9-11-3-2-4-14(15(11)19)16(20)18-13-7-5-12(17)6-8-13/h2-10H,1H3,(H,18,20)
InChIKeyZRJYXUJAPCYKNO-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.19
Rot. Bonds2

About N-(4-bromophenyl)-1-methylindole-7-carboxamide

N-(4-bromophenyl)-1-methylindole-7-carboxamide (PubChem CID 112521009) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-methylindole-7-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-methylindole-7-carboxamide
PubChem CID112521009
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC NameN-(4-bromophenyl)-1-methylindole-7-carboxamide
SMILESCn1ccc2cccc(C(=O)Nc3ccc(Br)cc3)c21
InChIInChI=1S/C16H13BrN2O/c1-19-10-9-11-3-2-4-14(15(11)19)16(20)18-13-7-5-12(17)6-8-13/h2-10H,1H3,(H,18,20)
InChIKeyZRJYXUJAPCYKNO-UHFFFAOYSA-N
XLogP4.19
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-aminoindol-1-yl)-N-(4-bromophenyl)acetamide
CID 114935756
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CID 55358520
5-amino-N-(4-bromophenyl)-1-methylpyrazole-4-carboxamide
CID 80504044
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
N-(4-bromophenyl)-2-(methylamino)-3-nitrobenzamide
CID 115936424
N-(4-bromophenyl)-1,3-benzodioxole-4-carboxamide
CID 110699494
N-(4-bromophenyl)-1-propylpyrrole-2-carboxamide
CID 43639066
N-(4-bromophenyl)-2-chloropyridine-3-carboxamide
CID 4604195
1-methyl-N-(4-phenoxyphenyl)indole-4-carboxamide
CID 112523940
8-[[4-[2-(4-bromophenyl)-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 22784757
1-N,4-N-bis(4-bromophenyl)naphthalene-1,4-dicarboxamide;bis(N,N-dimethylacetamide)
CID 139078080
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CID 135017964

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-methylindole-7-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-methylindole-7-carboxamide (CID 112521009) is N-(4-bromophenyl)-1-methylindole-7-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-methylindole-7-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-methylindole-7-carboxamide is Cn1ccc2cccc(C(=O)Nc3ccc(Br)cc3)c21.
What is the InChIKey of N-(4-bromophenyl)-1-methylindole-7-carboxamide?
The InChIKey is ZRJYXUJAPCYKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c1-19-10-9-11-3-2-4-14(15(11)19)16(20)18-13-7-5-12(17)6-8-13/h2-10H,1H3,(H,18,20).
What are the key properties of N-(4-bromophenyl)-1-methylindole-7-carboxamide?
N-(4-bromophenyl)-1-methylindole-7-carboxamide has a molecular weight of 329.20 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-methylindole-7-carboxamide is sourced from PubChem (CID 112521009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).