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

C15H17BrN2O2 — CID 43641190

IUPAC4-bromo-N-(4-methoxyphenyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C15H17BrN2O2/c1-3-8-18-10-11(16)9-14(18)15(19)17-12-4-6-13(20-2)7-5-12/h4-7,9-10H,3,8H2,1-2H3,(H,17,19)
InChIKeyOGNOHYYRSJRQMA-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.92
Rot. Bonds5

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

4-bromo-N-(4-methoxyphenyl)-1-propylpyrrole-2-carboxamide (PubChem CID 43641190) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 4-bromo-N-(4-methoxyphenyl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-methoxyphenyl)-1-propylpyrrole-2-carboxamide
PubChem CID43641190
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name4-bromo-N-(4-methoxyphenyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C15H17BrN2O2/c1-3-8-18-10-11(16)9-14(18)15(19)17-12-4-6-13(20-2)7-5-12/h4-7,9-10H,3,8H2,1-2H3,(H,17,19)
InChIKeyOGNOHYYRSJRQMA-UHFFFAOYSA-N
XLogP3.92
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(4-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43410991
N-(4-methoxyphenyl)-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159829
4-bromo-N-[(2-methylpropan-2-yl)oxy]-1-propylpyrrole-2-carboxamide
CID 107857541
4-bromo-N-(4-chloro-3-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 107300902
3,5-dibromo-N-(4-methoxyphenyl)benzamide
CID 114023535
4-bromo-1-ethyl-N-(4-methylsulfanylphenyl)pyrrole-2-carboxamide
CID 43640826
4-bromo-N-(2-propan-2-ylphenyl)-1-propylpyrrole-2-carboxamide
CID 43640837
4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide
CID 54877600
4-bromo-1-methyl-N-(4-propylphenyl)pyrrole-2-carboxamide
CID 43410940
4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide
CID 43640684
3-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-methoxypropanoic acid
CID 114144339
4-bromo-1-propyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 43641258

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-methoxyphenyl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(4-methoxyphenyl)-1-propylpyrrole-2-carboxamide (CID 43641190) is 4-bromo-N-(4-methoxyphenyl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-methoxyphenyl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(4-methoxyphenyl)-1-propylpyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 4-bromo-N-(4-methoxyphenyl)-1-propylpyrrole-2-carboxamide?
The InChIKey is OGNOHYYRSJRQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-3-8-18-10-11(16)9-14(18)15(19)17-12-4-6-13(20-2)7-5-12/h4-7,9-10H,3,8H2,1-2H3,(H,17,19).
What are the key properties of 4-bromo-N-(4-methoxyphenyl)-1-propylpyrrole-2-carboxamide?
4-bromo-N-(4-methoxyphenyl)-1-propylpyrrole-2-carboxamide has a molecular weight of 337.22 g/mol, XLogP of 3.92, 5 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-propylpyrrole-2-carboxamide is sourced from PubChem (CID 43641190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).