4-bromo-N-(4-chloro-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide

C13H12BrClN2O2 — CID 107300892

IUPAC4-bromo-N-(4-chloro-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(Br)cn2C)ccc1Cl
InChIInChI=1S/C13H12BrClN2O2/c1-17-7-8(14)5-11(17)13(18)16-9-3-4-10(15)12(6-9)19-2/h3-7H,1-2H3,(H,16,18)
InChIKeyUMEUDWDMGUWKEK-UHFFFAOYSA-N
MW343.61 g/mol
LogP3.70
Rot. Bonds3

About 4-bromo-N-(4-chloro-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide

4-bromo-N-(4-chloro-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide (PubChem CID 107300892) has the molecular formula C13H12BrClN2O2 and a molecular weight of 343.61 g/mol. Its IUPAC name is 4-bromo-N-(4-chloro-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-chloro-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide
PubChem CID107300892
Molecular FormulaC13H12BrClN2O2
Molecular Weight343.61 g/mol
Exact Mass341.98
IUPAC Name4-bromo-N-(4-chloro-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(Br)cn2C)ccc1Cl
InChIInChI=1S/C13H12BrClN2O2/c1-17-7-8(14)5-11(17)13(18)16-9-3-4-10(15)12(6-9)19-2/h3-7H,1-2H3,(H,16,18)
InChIKeyUMEUDWDMGUWKEK-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

methyl 5-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-2-chlorobenzoate
CID 60728863
4-bromo-N-(4-chloro-3-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 107300902
4-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60932931
4-bromo-N-(4-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43410991
4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrrole-2-carboxamide
CID 43410978
4-bromo-N-(4-chloro-3-methoxyphenyl)benzamide
CID 107271772
4-bromo-N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43411016
4-bromo-1-methyl-N-[4-[(R)-methylsulfinyl]phenyl]pyrrole-2-carboxamide
CID 96565911
4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 17410270
4-bromo-N-(4-chloro-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
CID 107271771
4-bromo-N-(3-iodo-4-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 60698312
4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 60934499

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-chloro-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(4-chloro-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide (CID 107300892) is 4-bromo-N-(4-chloro-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-chloro-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(4-chloro-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide is COc1cc(NC(=O)c2cc(Br)cn2C)ccc1Cl.
What is the InChIKey of 4-bromo-N-(4-chloro-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is UMEUDWDMGUWKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O2/c1-17-7-8(14)5-11(17)13(18)16-9-3-4-10(15)12(6-9)19-2/h3-7H,1-2H3,(H,16,18).
What are the key properties of 4-bromo-N-(4-chloro-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide?
4-bromo-N-(4-chloro-3-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-(4-chloro-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 107300892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).