4-bromo-N-(2-chloro-4-cyanophenyl)-1-ethylpyrrole-2-carboxamide

C14H11BrClN3O — CID 103811088

IUPAC4-bromo-N-(2-chloro-4-cyanophenyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1ccc(C#N)cc1Cl
InChIInChI=1S/C14H11BrClN3O/c1-2-19-8-10(15)6-13(19)14(20)18-12-4-3-9(7-17)5-11(12)16/h3-6,8H,2H2,1H3,(H,18,20)
InChIKeyCVOQHPKQQQFJMB-UHFFFAOYSA-N
MW352.62 g/mol
LogP4.05
Rot. Bonds3

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

4-bromo-N-(2-chloro-4-cyanophenyl)-1-ethylpyrrole-2-carboxamide (PubChem CID 103811088) has the molecular formula C14H11BrClN3O and a molecular weight of 352.62 g/mol. Its IUPAC name is 4-bromo-N-(2-chloro-4-cyanophenyl)-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-chloro-4-cyanophenyl)-1-ethylpyrrole-2-carboxamide
PubChem CID103811088
Molecular FormulaC14H11BrClN3O
Molecular Weight352.62 g/mol
Exact Mass350.98
IUPAC Name4-bromo-N-(2-chloro-4-cyanophenyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1ccc(C#N)cc1Cl
InChIInChI=1S/C14H11BrClN3O/c1-2-19-8-10(15)6-13(19)14(20)18-12-4-3-9(7-17)5-11(12)16/h3-6,8H,2H2,1H3,(H,18,20)
InChIKeyCVOQHPKQQQFJMB-UHFFFAOYSA-N
XLogP4.05
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.62
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 43641034
4-bromo-N-(5-bromo-2-cyanophenyl)-1-ethylpyrrole-2-carboxamide
CID 104880407
4-bromo-N-(2-chloro-5-nitrophenyl)-1-ethylpyrrole-2-carboxamide
CID 60955303
4-bromo-N-(2-chloro-4-fluorophenyl)-1-propylpyrrole-2-carboxamide
CID 43641431
4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43640635
4-bromo-1-ethyl-N-(4-hydroxy-2-nitrophenyl)pyrrole-2-carboxamide
CID 60954792
4-bromo-1-ethyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide
CID 62816949
4-bromo-N-(2-bromo-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide
CID 103753374
4-bromo-N-(3-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 43641006
4-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]-3-fluorobenzoic acid
CID 63189791
N-(2-chloro-4-cyanophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103799786
4-bromo-N-(4-bromo-2-nitrophenyl)-1-ethylpyrrole-2-carboxamide
CID 60955437

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-chloro-4-cyanophenyl)-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-chloro-4-cyanophenyl)-1-ethylpyrrole-2-carboxamide (CID 103811088) is 4-bromo-N-(2-chloro-4-cyanophenyl)-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-chloro-4-cyanophenyl)-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-chloro-4-cyanophenyl)-1-ethylpyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)Nc1ccc(C#N)cc1Cl.
What is the InChIKey of 4-bromo-N-(2-chloro-4-cyanophenyl)-1-ethylpyrrole-2-carboxamide?
The InChIKey is CVOQHPKQQQFJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN3O/c1-2-19-8-10(15)6-13(19)14(20)18-12-4-3-9(7-17)5-11(12)16/h3-6,8H,2H2,1H3,(H,18,20).
What are the key properties of 4-bromo-N-(2-chloro-4-cyanophenyl)-1-ethylpyrrole-2-carboxamide?
4-bromo-N-(2-chloro-4-cyanophenyl)-1-ethylpyrrole-2-carboxamide has a molecular weight of 352.62 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-chloro-4-cyanophenyl)-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 103811088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).