5-bromo-N-(2,2-dichloro-1-cyanoethenyl)furan-2-carboxamide

C8H3BrCl2N2O2 — CID 17012475

IUPAC5-bromo-N-(2,2-dichloro-1-cyanoethenyl)furan-2-carboxamide
SMILESN#CC(NC(=O)c1ccc(Br)o1)=C(Cl)Cl
InChIInChI=1S/C8H3BrCl2N2O2/c9-6-2-1-5(15-6)8(14)13-4(3-12)7(10)11/h1-2H,(H,13,14)
InChIKeyUGULCQUNYKLYDD-UHFFFAOYSA-N
MW309.93 g/mol
LogP2.94
Rot. Bonds2

About 5-bromo-N-(2,2-dichloro-1-cyanoethenyl)furan-2-carboxamide

5-bromo-N-(2,2-dichloro-1-cyanoethenyl)furan-2-carboxamide (PubChem CID 17012475) has the molecular formula C8H3BrCl2N2O2 and a molecular weight of 309.93 g/mol. Its IUPAC name is 5-bromo-N-(2,2-dichloro-1-cyanoethenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,2-dichloro-1-cyanoethenyl)furan-2-carboxamide
PubChem CID17012475
Molecular FormulaC8H3BrCl2N2O2
Molecular Weight309.93 g/mol
Exact Mass307.88
IUPAC Name5-bromo-N-(2,2-dichloro-1-cyanoethenyl)furan-2-carboxamide
SMILESN#CC(NC(=O)c1ccc(Br)o1)=C(Cl)Cl
InChIInChI=1S/C8H3BrCl2N2O2/c9-6-2-1-5(15-6)8(14)13-4(3-12)7(10)11/h1-2H,(H,13,14)
InChIKeyUGULCQUNYKLYDD-UHFFFAOYSA-N
XLogP2.94
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.93
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(1-cyanoethyl)furan-2-carboxamide
CID 61119457
5-bromo-N-(3-cyanopentan-3-yl)furan-2-carboxamide
CID 55139521
5-bromo-N-[3-(cyanomethyl)phenyl]furan-2-carboxamide
CID 59654859
3-(5-bromofuran-2-yl)-3-chloro-2-phenylprop-2-enenitrile
CID 76922529
5-bromo-N-(1-chloro-2-methylpropan-2-yl)furan-2-carboxamide
CID 114294942
3-(5-bromofuran-2-yl)-2-methyl-3-oxopropanenitrile
CID 43157289
5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide
CID 973213
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
2-[(5-bromofuran-2-carbonyl)amino]-5-phenylpenta-2,4-dienoic acid
CID 1293136
5-bromo-N-[(3,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide
CID 3283056
5-bromofuran-2-carboxylate
CID 4069229
5-bromo-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 65309872

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2-dichloro-1-cyanoethenyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2,2-dichloro-1-cyanoethenyl)furan-2-carboxamide (CID 17012475) is 5-bromo-N-(2,2-dichloro-1-cyanoethenyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,2-dichloro-1-cyanoethenyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2,2-dichloro-1-cyanoethenyl)furan-2-carboxamide is N#CC(NC(=O)c1ccc(Br)o1)=C(Cl)Cl.
What is the InChIKey of 5-bromo-N-(2,2-dichloro-1-cyanoethenyl)furan-2-carboxamide?
The InChIKey is UGULCQUNYKLYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrCl2N2O2/c9-6-2-1-5(15-6)8(14)13-4(3-12)7(10)11/h1-2H,(H,13,14).
What are the key properties of 5-bromo-N-(2,2-dichloro-1-cyanoethenyl)furan-2-carboxamide?
5-bromo-N-(2,2-dichloro-1-cyanoethenyl)furan-2-carboxamide has a molecular weight of 309.93 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2-dichloro-1-cyanoethenyl)furan-2-carboxamide is sourced from PubChem (CID 17012475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).