4-bromo-N-(5-bromo-2-cyanophenyl)-1-ethylpyrrole-2-carboxamide

C14H11Br2N3O — CID 104880407

IUPAC4-bromo-N-(5-bromo-2-cyanophenyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1cc(Br)ccc1C#N
InChIInChI=1S/C14H11Br2N3O/c1-2-19-8-11(16)6-13(19)14(20)18-12-5-10(15)4-3-9(12)7-17/h3-6,8H,2H2,1H3,(H,18,20)
InChIKeyHGCPAKGRCLDAQJ-UHFFFAOYSA-N
MW397.07 g/mol
LogP4.16
Rot. Bonds3

About 4-bromo-N-(5-bromo-2-cyanophenyl)-1-ethylpyrrole-2-carboxamide

4-bromo-N-(5-bromo-2-cyanophenyl)-1-ethylpyrrole-2-carboxamide (PubChem CID 104880407) has the molecular formula C14H11Br2N3O and a molecular weight of 397.07 g/mol. Its IUPAC name is 4-bromo-N-(5-bromo-2-cyanophenyl)-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(5-bromo-2-cyanophenyl)-1-ethylpyrrole-2-carboxamide
PubChem CID104880407
Molecular FormulaC14H11Br2N3O
Molecular Weight397.07 g/mol
Exact Mass394.93
IUPAC Name4-bromo-N-(5-bromo-2-cyanophenyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1cc(Br)ccc1C#N
InChIInChI=1S/C14H11Br2N3O/c1-2-19-8-11(16)6-13(19)14(20)18-12-5-10(15)4-3-9(12)7-17/h3-6,8H,2H2,1H3,(H,18,20)
InChIKeyHGCPAKGRCLDAQJ-UHFFFAOYSA-N
XLogP4.16
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.07
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2-chloro-4-cyanophenyl)-1-ethylpyrrole-2-carboxamide
CID 103811088
4-bromo-N-(4-bromo-2-nitrophenyl)-1-ethylpyrrole-2-carboxamide
CID 60955437
N-(5-bromo-2-cyanophenyl)propanamide
CID 104880130
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
N-(5-bromo-2-cyanophenyl)-2-methylsulfanylacetamide
CID 104880341
4-bromo-N-(2-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 43641034
N-(5-bromo-2-cyanophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 107798325
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
N-(5-bromo-2-cyanophenyl)-2-ethylbenzamide
CID 104880168
4-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]-3-fluorobenzoic acid
CID 63189791
4-bromo-N-(2-chloro-5-nitrophenyl)-1-ethylpyrrole-2-carboxamide
CID 60955303

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-bromo-2-cyanophenyl)-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(5-bromo-2-cyanophenyl)-1-ethylpyrrole-2-carboxamide (CID 104880407) is 4-bromo-N-(5-bromo-2-cyanophenyl)-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(5-bromo-2-cyanophenyl)-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(5-bromo-2-cyanophenyl)-1-ethylpyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)Nc1cc(Br)ccc1C#N.
What is the InChIKey of 4-bromo-N-(5-bromo-2-cyanophenyl)-1-ethylpyrrole-2-carboxamide?
The InChIKey is HGCPAKGRCLDAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2N3O/c1-2-19-8-11(16)6-13(19)14(20)18-12-5-10(15)4-3-9(12)7-17/h3-6,8H,2H2,1H3,(H,18,20).
What are the key properties of 4-bromo-N-(5-bromo-2-cyanophenyl)-1-ethylpyrrole-2-carboxamide?
4-bromo-N-(5-bromo-2-cyanophenyl)-1-ethylpyrrole-2-carboxamide has a molecular weight of 397.07 g/mol, XLogP of 4.16, 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-bromo-2-cyanophenyl)-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 104880407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).