4-bromo-N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-2-carboxamide

C13H12BrClN2O2 — CID 43411016

IUPAC4-bromo-N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(Br)cn1C
InChIInChI=1S/C13H12BrClN2O2/c1-17-7-8(14)5-11(17)13(18)16-10-6-9(15)3-4-12(10)19-2/h3-7H,1-2H3,(H,16,18)
InChIKeyFEIFIPKLALGDEN-UHFFFAOYSA-N
MW343.61 g/mol
LogP3.70
Rot. Bonds3

About 4-bromo-N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-2-carboxamide

4-bromo-N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-2-carboxamide (PubChem CID 43411016) has the molecular formula C13H12BrClN2O2 and a molecular weight of 343.61 g/mol. Its IUPAC name is 4-bromo-N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-2-carboxamide
PubChem CID43411016
Molecular FormulaC13H12BrClN2O2
Molecular Weight343.61 g/mol
Exact Mass341.98
IUPAC Name4-bromo-N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(Br)cn1C
InChIInChI=1S/C13H12BrClN2O2/c1-17-7-8(14)5-11(17)13(18)16-10-6-9(15)3-4-12(10)19-2/h3-7H,1-2H3,(H,16,18)
InChIKeyFEIFIPKLALGDEN-UHFFFAOYSA-N
XLogP3.70
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.61
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 17410270
N-(5-chloro-2-methoxyphenyl)-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide
CID 30858986
4-bromo-N-(4-chloro-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 107300892
3-N,5-N-bis(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097288
4-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 43411079
N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-3-carboxamide
CID 110762736
4-amino-N-(5-chloro-2-ethoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 61104697
4-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 26688337
4-amino-N-(5-chloro-2-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 43642936
N-(5-chloro-2-methoxyphenyl)-1-methylindole-3-carboxamide
CID 29202307
4-bromo-N-(4-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43410991
4-bromo-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 43411021

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-2-carboxamide (CID 43411016) is 4-bromo-N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-2-carboxamide is COc1ccc(Cl)cc1NC(=O)c1cc(Br)cn1C.
What is the InChIKey of 4-bromo-N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is FEIFIPKLALGDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O2/c1-17-7-8(14)5-11(17)13(18)16-10-6-9(15)3-4-12(10)19-2/h3-7H,1-2H3,(H,16,18).
What are the key properties of 4-bromo-N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-2-carboxamide?
4-bromo-N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 343.61 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 43411016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).