4-bromo-N-(4-ethoxy-3-methoxyphenyl)-1H-pyrrole-2-carboxamide

C14H15BrN2O3 — CID 17459532

IUPAC4-bromo-N-(4-ethoxy-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(Br)c[nH]2)cc1OC
InChIInChI=1S/C14H15BrN2O3/c1-3-20-12-5-4-10(7-13(12)19-2)17-14(18)11-6-9(15)8-16-11/h4-8,16H,3H2,1-2H3,(H,17,18)
InChIKeyNYIAVVSBMLTJRH-UHFFFAOYSA-N
MW339.19 g/mol
LogP3.44
Rot. Bonds5

About 4-bromo-N-(4-ethoxy-3-methoxyphenyl)-1H-pyrrole-2-carboxamide

4-bromo-N-(4-ethoxy-3-methoxyphenyl)-1H-pyrrole-2-carboxamide (PubChem CID 17459532) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is 4-bromo-N-(4-ethoxy-3-methoxyphenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-ethoxy-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
PubChem CID17459532
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name4-bromo-N-(4-ethoxy-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(Br)c[nH]2)cc1OC
InChIInChI=1S/C14H15BrN2O3/c1-3-20-12-5-4-10(7-13(12)19-2)17-14(18)11-6-9(15)8-16-11/h4-8,16H,3H2,1-2H3,(H,17,18)
InChIKeyNYIAVVSBMLTJRH-UHFFFAOYSA-N
XLogP3.44
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(4-bromo-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
CID 79421457
4-bromo-N-(4-chloro-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
CID 107271771
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
4-bromo-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1H-pyrrole-2-carboxamide
CID 134040694
5-bromo-N-(4-ethoxy-3-methoxyphenyl)pyridine-2-carboxamide
CID 62952861
N-(4-ethoxy-3-methoxyphenyl)-2,4,5-trimethoxybenzamide
CID 9103295
N-(3,4-dimethoxyphenyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 27376438
4-bromo-N-(3-chloro-4-propoxyphenyl)-1H-pyrrole-2-carboxamide
CID 47267908
4-bromo-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 8982923
4-bromo-N-[2-(4-ethoxy-3-methoxyanilino)-2-oxoethyl]benzamide
CID 9102895
4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-1H-pyrrole-2-carbohydrazide
CID 51217733
4-bromo-N-(2-ethoxy-4-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 47268272

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-ethoxy-3-methoxyphenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(4-ethoxy-3-methoxyphenyl)-1H-pyrrole-2-carboxamide (CID 17459532) is 4-bromo-N-(4-ethoxy-3-methoxyphenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-ethoxy-3-methoxyphenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(4-ethoxy-3-methoxyphenyl)-1H-pyrrole-2-carboxamide is CCOc1ccc(NC(=O)c2cc(Br)c[nH]2)cc1OC.
What is the InChIKey of 4-bromo-N-(4-ethoxy-3-methoxyphenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is NYIAVVSBMLTJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-3-20-12-5-4-10(7-13(12)19-2)17-14(18)11-6-9(15)8-16-11/h4-8,16H,3H2,1-2H3,(H,17,18).
What are the key properties of 4-bromo-N-(4-ethoxy-3-methoxyphenyl)-1H-pyrrole-2-carboxamide?
4-bromo-N-(4-ethoxy-3-methoxyphenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 339.19 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-ethoxy-3-methoxyphenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 17459532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).