4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-1H-pyrrole-2-carboxamide

C13H11Br2ClN2O2 — CID 60710210

IUPAC4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-1H-pyrrole-2-carboxamide
SMILESCCOc1c(Br)cc(Cl)cc1NC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C13H11Br2ClN2O2/c1-2-20-12-9(15)4-8(16)5-10(12)18-13(19)11-3-7(14)6-17-11/h3-6,17H,2H2,1H3,(H,18,19)
InChIKeyJINSFBULYBVBED-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.84
Rot. Bonds4

About 4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-1H-pyrrole-2-carboxamide

4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-1H-pyrrole-2-carboxamide (PubChem CID 60710210) has the molecular formula C13H11Br2ClN2O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is 4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-1H-pyrrole-2-carboxamide
PubChem CID60710210
Molecular FormulaC13H11Br2ClN2O2
Molecular Weight422.50 g/mol
Exact Mass419.89
IUPAC Name4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-1H-pyrrole-2-carboxamide
SMILESCCOc1c(Br)cc(Cl)cc1NC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C13H11Br2ClN2O2/c1-2-20-12-9(15)4-8(16)5-10(12)18-13(19)11-3-7(14)6-17-11/h3-6,17H,2H2,1H3,(H,18,19)
InChIKeyJINSFBULYBVBED-UHFFFAOYSA-N
XLogP4.84
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-fluorobenzamide
CID 26159493
N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chlorobenzamide
CID 30208430
N-(3-bromo-5-chloro-2-ethoxyphenyl)but-2-enamide
CID 112725225
N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloropyridine-3-carboxamide
CID 60710404
4-bromo-N-(2,5-dichlorophenyl)-1H-pyrrole-2-carboxamide
CID 43410564
4-bromo-N-(2-ethoxy-4-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 47268272
N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-(methylamino)butanamide
CID 60843123
N-(3-bromo-5-chloro-2-ethoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 30208665
4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-nitrobenzamide
CID 26159725
4-bromo-N-(2,4,5-trichlorophenyl)-1H-pyrrole-2-carboxamide
CID 43410594
N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 26159622
6-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)hexanamide
CID 43704625

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-1H-pyrrole-2-carboxamide (CID 60710210) is 4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-1H-pyrrole-2-carboxamide is CCOc1c(Br)cc(Cl)cc1NC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is JINSFBULYBVBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2ClN2O2/c1-2-20-12-9(15)4-8(16)5-10(12)18-13(19)11-3-7(14)6-17-11/h3-6,17H,2H2,1H3,(H,18,19).
What are the key properties of 4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-1H-pyrrole-2-carboxamide?
4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 422.50 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 60710210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).