4-[(5-bromofuran-2-yl)methylamino]-2-chlorobenzonitrile

C12H8BrClN2O — CID 43348034

IUPAC4-[(5-bromofuran-2-yl)methylamino]-2-chlorobenzonitrile
SMILESN#Cc1ccc(NCc2ccc(Br)o2)cc1Cl
InChIInChI=1S/C12H8BrClN2O/c13-12-4-3-10(17-12)7-16-9-2-1-8(6-15)11(14)5-9/h1-5,16H,7H2
InChIKeyWYXFQLFQDFGYIN-UHFFFAOYSA-N
MW311.57 g/mol
LogP4.18
Rot. Bonds3

About 4-[(5-bromofuran-2-yl)methylamino]-2-chlorobenzonitrile

4-[(5-bromofuran-2-yl)methylamino]-2-chlorobenzonitrile (PubChem CID 43348034) has the molecular formula C12H8BrClN2O and a molecular weight of 311.57 g/mol. Its IUPAC name is 4-[(5-bromofuran-2-yl)methylamino]-2-chlorobenzonitrile.

Molecular Properties

Compound Name4-[(5-bromofuran-2-yl)methylamino]-2-chlorobenzonitrile
PubChem CID43348034
Molecular FormulaC12H8BrClN2O
Molecular Weight311.57 g/mol
Exact Mass309.95
IUPAC Name4-[(5-bromofuran-2-yl)methylamino]-2-chlorobenzonitrile
SMILESN#Cc1ccc(NCc2ccc(Br)o2)cc1Cl
InChIInChI=1S/C12H8BrClN2O/c13-12-4-3-10(17-12)7-16-9-2-1-8(6-15)11(14)5-9/h1-5,16H,7H2
InChIKeyWYXFQLFQDFGYIN-UHFFFAOYSA-N
XLogP4.18
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.57
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(5-bromofuran-2-yl)methylamino]-2-chlorobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]benzonitrile
CID 64578988
4-N-[(5-bromofuran-2-yl)methyl]-2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine
CID 54865355
4-[(3-bromo-4-chlorophenyl)methylamino]-2-chlorobenzonitrile
CID 83235729
2-chloro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]benzonitrile
CID 114015314
4-[(5-bromo-3-pyridinyl)methylamino]-2-chlorobenzonitrile
CID 104796715
2-chloro-4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzonitrile
CID 103764561
2-chloro-4-[(4-nitrophenyl)methylamino]benzonitrile
CID 43244756
5-[(3-chloro-4-hydroxyanilino)methyl]furan-2-carbonitrile
CID 107678453
4-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-2-chlorobenzonitrile
CID 112831630
2-chloro-4-[(2,4,6-trimethylphenyl)methylamino]benzonitrile
CID 43348060
2-chloro-4-[(2,6-dimethylphenyl)methylamino]benzonitrile
CID 78997573
methyl 5-[(3-chloro-4-cyanoanilino)methyl]furan-3-carboxylate
CID 104608199

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromofuran-2-yl)methylamino]-2-chlorobenzonitrile?
The IUPAC name of 4-[(5-bromofuran-2-yl)methylamino]-2-chlorobenzonitrile (CID 43348034) is 4-[(5-bromofuran-2-yl)methylamino]-2-chlorobenzonitrile.
What is the SMILES notation for 4-[(5-bromofuran-2-yl)methylamino]-2-chlorobenzonitrile?
The canonical SMILES for 4-[(5-bromofuran-2-yl)methylamino]-2-chlorobenzonitrile is N#Cc1ccc(NCc2ccc(Br)o2)cc1Cl.
What is the InChIKey of 4-[(5-bromofuran-2-yl)methylamino]-2-chlorobenzonitrile?
The InChIKey is WYXFQLFQDFGYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O/c13-12-4-3-10(17-12)7-16-9-2-1-8(6-15)11(14)5-9/h1-5,16H,7H2.
What are the key properties of 4-[(5-bromofuran-2-yl)methylamino]-2-chlorobenzonitrile?
4-[(5-bromofuran-2-yl)methylamino]-2-chlorobenzonitrile has a molecular weight of 311.57 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromofuran-2-yl)methylamino]-2-chlorobenzonitrile is sourced from PubChem (CID 43348034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).