4-bromo-1-methyl-N-naphthalen-1-ylpyrrole-2-carboxamide

C16H13BrN2O — CID 43410998

IUPAC4-bromo-1-methyl-N-naphthalen-1-ylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C16H13BrN2O/c1-19-10-12(17)9-15(19)16(20)18-14-8-4-6-11-5-2-3-7-13(11)14/h2-10H,1H3,(H,18,20)
InChIKeyFIVNELTVTJGFFN-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.19
Rot. Bonds2

About 4-bromo-1-methyl-N-naphthalen-1-ylpyrrole-2-carboxamide

4-bromo-1-methyl-N-naphthalen-1-ylpyrrole-2-carboxamide (PubChem CID 43410998) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-naphthalen-1-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-naphthalen-1-ylpyrrole-2-carboxamide
PubChem CID43410998
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name4-bromo-1-methyl-N-naphthalen-1-ylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C16H13BrN2O/c1-19-10-12(17)9-15(19)16(20)18-14-8-4-6-11-5-2-3-7-13(11)14/h2-10H,1H3,(H,18,20)
InChIKeyFIVNELTVTJGFFN-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

4-bromo-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60954936
4-bromo-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 43411021
4-bromo-N-(3-chloro-2-fluorophenyl)-1-methylpyrrole-2-carboxamide
CID 43411034
4-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)pyrrole-2-carboxamide
CID 60698285
4-bromo-1-methyl-N-(2-methyl-3-nitrophenyl)pyrrole-2-carboxamide
CID 60698474
4-bromo-N-(8-chloroquinolin-5-yl)-1-methylpyrrole-2-carboxamide
CID 60727478
4-bromo-N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide
CID 43411067
4-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 113349883
4-bromo-N-(1H-indazol-3-yl)-1-methylpyrrole-2-carboxamide
CID 62686203
4-bromo-1-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrole-2-carboxamide
CID 60956274
4-bromo-N-(4-bromo-2,5-difluorophenyl)-1-methylpyrrole-2-carboxamide
CID 103842486
4-bromo-N-(4-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43410991

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-naphthalen-1-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-naphthalen-1-ylpyrrole-2-carboxamide (CID 43410998) is 4-bromo-1-methyl-N-naphthalen-1-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-naphthalen-1-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-naphthalen-1-ylpyrrole-2-carboxamide is Cn1cc(Br)cc1C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 4-bromo-1-methyl-N-naphthalen-1-ylpyrrole-2-carboxamide?
The InChIKey is FIVNELTVTJGFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c1-19-10-12(17)9-15(19)16(20)18-14-8-4-6-11-5-2-3-7-13(11)14/h2-10H,1H3,(H,18,20).
What are the key properties of 4-bromo-1-methyl-N-naphthalen-1-ylpyrrole-2-carboxamide?
4-bromo-1-methyl-N-naphthalen-1-ylpyrrole-2-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 4-bromo-1-methyl-N-naphthalen-1-ylpyrrole-2-carboxamide is sourced from PubChem (CID 43410998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).