N-(2-bromo-4-cyanophenyl)-5-chlorofuran-2-carboxamide

C12H6BrClN2O2 — CID 113231347

IUPACN-(2-bromo-4-cyanophenyl)-5-chlorofuran-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(Cl)o2)c(Br)c1
InChIInChI=1S/C12H6BrClN2O2/c13-8-5-7(6-15)1-2-9(8)16-12(17)10-3-4-11(14)18-10/h1-5H,(H,16,17)
InChIKeySSHOUADFSDGKML-UHFFFAOYSA-N
MW325.55 g/mol
LogP3.82
Rot. Bonds2

About N-(2-bromo-4-cyanophenyl)-5-chlorofuran-2-carboxamide

N-(2-bromo-4-cyanophenyl)-5-chlorofuran-2-carboxamide (PubChem CID 113231347) has the molecular formula C12H6BrClN2O2 and a molecular weight of 325.55 g/mol. Its IUPAC name is N-(2-bromo-4-cyanophenyl)-5-chlorofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-cyanophenyl)-5-chlorofuran-2-carboxamide
PubChem CID113231347
Molecular FormulaC12H6BrClN2O2
Molecular Weight325.55 g/mol
Exact Mass323.93
IUPAC NameN-(2-bromo-4-cyanophenyl)-5-chlorofuran-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(Cl)o2)c(Br)c1
InChIInChI=1S/C12H6BrClN2O2/c13-8-5-7(6-15)1-2-9(8)16-12(17)10-3-4-11(14)18-10/h1-5H,(H,16,17)
InChIKeySSHOUADFSDGKML-UHFFFAOYSA-N
XLogP3.82
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.55
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 114371240
3-bromo-N-(2-bromo-4-cyanophenyl)-4-chlorobenzamide
CID 103841848
N-(2-bromo-4-cyanophenyl)-3-chloro-4-hydroxybenzamide
CID 107791108
5-amino-2-bromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 115297136
5-amino-N-(2-bromo-4-cyanophenyl)-2,3-dichlorobenzamide
CID 107796812
6-[(2-bromo-4-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 107792674
N-(2-bromo-4-cyanophenyl)-2-cyanoacetamide
CID 107790761
N-(2-amino-4-cyanophenyl)-5-methylfuran-2-carboxamide
CID 78965516
N-(2-bromo-4-cyanophenyl)-1H-pyrazole-4-carboxamide
CID 61259361
3-amino-N-(2-bromo-4-cyanophenyl)thiophene-2-carboxamide
CID 114002425
3-bromo-N-(2-bromo-4-cyanophenyl)-5-methylbenzamide
CID 104852225
3-bromo-N-(2-bromo-4-cyanophenyl)-2-fluorobenzamide
CID 106544569

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-cyanophenyl)-5-chlorofuran-2-carboxamide?
The IUPAC name of N-(2-bromo-4-cyanophenyl)-5-chlorofuran-2-carboxamide (CID 113231347) is N-(2-bromo-4-cyanophenyl)-5-chlorofuran-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4-cyanophenyl)-5-chlorofuran-2-carboxamide?
The canonical SMILES for N-(2-bromo-4-cyanophenyl)-5-chlorofuran-2-carboxamide is N#Cc1ccc(NC(=O)c2ccc(Cl)o2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-cyanophenyl)-5-chlorofuran-2-carboxamide?
The InChIKey is SSHOUADFSDGKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClN2O2/c13-8-5-7(6-15)1-2-9(8)16-12(17)10-3-4-11(14)18-10/h1-5H,(H,16,17).
What are the key properties of N-(2-bromo-4-cyanophenyl)-5-chlorofuran-2-carboxamide?
N-(2-bromo-4-cyanophenyl)-5-chlorofuran-2-carboxamide has a molecular weight of 325.55 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-cyanophenyl)-5-chlorofuran-2-carboxamide is sourced from PubChem (CID 113231347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).