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

C14H14BrClN2O2 — CID 107300902

IUPAC4-bromo-N-(4-chloro-3-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1ccc(Cl)c(OC)c1
InChIInChI=1S/C14H14BrClN2O2/c1-3-18-8-9(15)6-12(18)14(19)17-10-4-5-11(16)13(7-10)20-2/h4-8H,3H2,1-2H3,(H,17,19)
InChIKeyPJHFIIWSJIQOKC-UHFFFAOYSA-N
MW357.64 g/mol
LogP4.18
Rot. Bonds4

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

4-bromo-N-(4-chloro-3-methoxyphenyl)-1-ethylpyrrole-2-carboxamide (PubChem CID 107300902) has the molecular formula C14H14BrClN2O2 and a molecular weight of 357.64 g/mol. Its IUPAC name is 4-bromo-N-(4-chloro-3-methoxyphenyl)-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-chloro-3-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
PubChem CID107300902
Molecular FormulaC14H14BrClN2O2
Molecular Weight357.64 g/mol
Exact Mass355.99
IUPAC Name4-bromo-N-(4-chloro-3-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1ccc(Cl)c(OC)c1
InChIInChI=1S/C14H14BrClN2O2/c1-3-18-8-9(15)6-12(18)14(19)17-10-4-5-11(16)13(7-10)20-2/h4-8H,3H2,1-2H3,(H,17,19)
InChIKeyPJHFIIWSJIQOKC-UHFFFAOYSA-N
XLogP4.18
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.64
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(4-chloro-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 107300892
4-amino-N-(3-chloro-4-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 43642694
4-bromo-N-(4-chloro-3-methoxyphenyl)benzamide
CID 107271772
4-bromo-1-ethyl-N-[3-[(2-methoxyacetyl)amino]phenyl]pyrrole-2-carboxamide
CID 55823963
4-bromo-N-(2-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 43641034
4-bromo-1-ethyl-N-(4-methylsulfanylphenyl)pyrrole-2-carboxamide
CID 43640826
N-(3-amino-4-fluorophenyl)-4-bromo-1-ethylpyrrole-2-carboxamide
CID 63257043
4-bromo-N-(2-chloro-5-nitrophenyl)-1-ethylpyrrole-2-carboxamide
CID 60955303
4-bromo-N-(4-methoxyphenyl)-1-propylpyrrole-2-carboxamide
CID 43641190
4-bromo-N-(3-carbamoyl-4-fluorophenyl)-1-ethylpyrrole-2-carboxamide
CID 60955301
4-bromo-N-(4-chloro-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
CID 107271771
4-bromo-N-[4-(difluoromethylsulfanyl)phenyl]-1-ethylpyrrole-2-carboxamide
CID 60955535

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-chloro-3-methoxyphenyl)-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(4-chloro-3-methoxyphenyl)-1-ethylpyrrole-2-carboxamide (CID 107300902) is 4-bromo-N-(4-chloro-3-methoxyphenyl)-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-chloro-3-methoxyphenyl)-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(4-chloro-3-methoxyphenyl)-1-ethylpyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)Nc1ccc(Cl)c(OC)c1.
What is the InChIKey of 4-bromo-N-(4-chloro-3-methoxyphenyl)-1-ethylpyrrole-2-carboxamide?
The InChIKey is PJHFIIWSJIQOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O2/c1-3-18-8-9(15)6-12(18)14(19)17-10-4-5-11(16)13(7-10)20-2/h4-8H,3H2,1-2H3,(H,17,19).
What are the key properties of 4-bromo-N-(4-chloro-3-methoxyphenyl)-1-ethylpyrrole-2-carboxamide?
4-bromo-N-(4-chloro-3-methoxyphenyl)-1-ethylpyrrole-2-carboxamide has a molecular weight of 357.64 g/mol, XLogP of 4.18, 4 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-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 107300902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).