4-bromo-N-(4-methoxyphenyl)-1-methylpyrrole-2-carboxamide

C13H13BrN2O2 — CID 43410991

IUPAC4-bromo-N-(4-methoxyphenyl)-1-methylpyrrole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Br)cn2C)cc1
InChIInChI=1S/C13H13BrN2O2/c1-16-8-9(14)7-12(16)13(17)15-10-3-5-11(18-2)6-4-10/h3-8H,1-2H3,(H,15,17)
InChIKeyNLVOYUNLFJLTAH-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.05
Rot. Bonds3

About 4-bromo-N-(4-methoxyphenyl)-1-methylpyrrole-2-carboxamide

4-bromo-N-(4-methoxyphenyl)-1-methylpyrrole-2-carboxamide (PubChem CID 43410991) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 4-bromo-N-(4-methoxyphenyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-methoxyphenyl)-1-methylpyrrole-2-carboxamide
PubChem CID43410991
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name4-bromo-N-(4-methoxyphenyl)-1-methylpyrrole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Br)cn2C)cc1
InChIInChI=1S/C13H13BrN2O2/c1-16-8-9(14)7-12(16)13(17)15-10-3-5-11(18-2)6-4-10/h3-8H,1-2H3,(H,15,17)
InChIKeyNLVOYUNLFJLTAH-UHFFFAOYSA-N
XLogP3.05
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(4-methoxyphenyl)-1-propylpyrrole-2-carboxamide
CID 43641190
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-1-methylpyrrole-2-carboxamide
CID 60956273
4-bromo-N-(4-chloro-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 107300892
4-bromo-1-methyl-N-[4-[(R)-methylsulfinyl]phenyl]pyrrole-2-carboxamide
CID 96565911
4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrrole-2-carboxamide
CID 43410978
4-bromo-1-methyl-N-(4-propylphenyl)pyrrole-2-carboxamide
CID 43410940
methyl 5-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-2-chlorobenzoate
CID 60728863
4-bromo-N'-[2-(4-methoxyphenyl)acetyl]-1-methylpyrrole-2-carbohydrazide
CID 24532949
4-bromo-N-[4-(ethylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60954402
4-bromo-N-(3-iodo-4-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 60698312
3,5-dibromo-N-(4-methoxyphenyl)benzamide
CID 114023535
4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 54867134

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-methoxyphenyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(4-methoxyphenyl)-1-methylpyrrole-2-carboxamide (CID 43410991) is 4-bromo-N-(4-methoxyphenyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-methoxyphenyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(4-methoxyphenyl)-1-methylpyrrole-2-carboxamide is COc1ccc(NC(=O)c2cc(Br)cn2C)cc1.
What is the InChIKey of 4-bromo-N-(4-methoxyphenyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is NLVOYUNLFJLTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-16-8-9(14)7-12(16)13(17)15-10-3-5-11(18-2)6-4-10/h3-8H,1-2H3,(H,15,17).
What are the key properties of 4-bromo-N-(4-methoxyphenyl)-1-methylpyrrole-2-carboxamide?
4-bromo-N-(4-methoxyphenyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 309.16 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-methoxyphenyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 43410991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).