5-chloro-2-[1-(furan-2-yl)ethylamino]benzonitrile

C13H11ClN2O — CID 62494326

IUPAC5-chloro-2-[1-(furan-2-yl)ethylamino]benzonitrile
SMILESCC(Nc1ccc(Cl)cc1C#N)c1ccco1
InChIInChI=1S/C13H11ClN2O/c1-9(13-3-2-6-17-13)16-12-5-4-11(14)7-10(12)8-15/h2-7,9,16H,1H3
InChIKeyBRBCEYHCHGPBRI-UHFFFAOYSA-N
MW246.70 g/mol
LogP3.98
Rot. Bonds3

About 5-chloro-2-[1-(furan-2-yl)ethylamino]benzonitrile

5-chloro-2-[1-(furan-2-yl)ethylamino]benzonitrile (PubChem CID 62494326) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is 5-chloro-2-[1-(furan-2-yl)ethylamino]benzonitrile.

Molecular Properties

Compound Name5-chloro-2-[1-(furan-2-yl)ethylamino]benzonitrile
PubChem CID62494326
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name5-chloro-2-[1-(furan-2-yl)ethylamino]benzonitrile
SMILESCC(Nc1ccc(Cl)cc1C#N)c1ccco1
InChIInChI=1S/C13H11ClN2O/c1-9(13-3-2-6-17-13)16-12-5-4-11(14)7-10(12)8-15/h2-7,9,16H,1H3
InChIKeyBRBCEYHCHGPBRI-UHFFFAOYSA-N
XLogP3.98
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-[1-(furan-2-yl)ethylamino]benzonitrile 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

5-chloro-2-[1-(4-methylphenyl)ethylamino]benzonitrile
CID 55209456
2-(but-3-yn-2-ylamino)-5-chlorobenzonitrile
CID 114417378
2-[1-(3-aminophenyl)ethylamino]-5-chlorobenzonitrile
CID 62494887
2,3,4-trifluoro-N-[1-(furan-2-yl)ethyl]aniline
CID 43192518
5-chloro-2-[1-(2H-tetrazol-5-yl)ethylamino]benzonitrile
CID 62495199
3-chloro-4-[1-(furan-2-yl)ethylamino]benzoic acid
CID 55182379
2-(4-chloro-2-cyanoanilino)-N-ethylpropanamide
CID 62494182
5-chloro-2-[1-(1-phenyltriazol-4-yl)ethylamino]benzonitrile
CID 133365505
2-chloro-N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)aniline
CID 43714604
2-fluoro-N-[1-(furan-2-yl)ethyl]aniline
CID 43194896
5-chloro-2-(2-propan-2-ylanilino)benzonitrile
CID 63512062
3-amino-2-[1-(furan-2-yl)ethylamino]pyridine-4-carbonitrile
CID 82817603

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-(furan-2-yl)ethylamino]benzonitrile?
The IUPAC name of 5-chloro-2-[1-(furan-2-yl)ethylamino]benzonitrile (CID 62494326) is 5-chloro-2-[1-(furan-2-yl)ethylamino]benzonitrile.
What is the SMILES notation for 5-chloro-2-[1-(furan-2-yl)ethylamino]benzonitrile?
The canonical SMILES for 5-chloro-2-[1-(furan-2-yl)ethylamino]benzonitrile is CC(Nc1ccc(Cl)cc1C#N)c1ccco1.
What is the InChIKey of 5-chloro-2-[1-(furan-2-yl)ethylamino]benzonitrile?
The InChIKey is BRBCEYHCHGPBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c1-9(13-3-2-6-17-13)16-12-5-4-11(14)7-10(12)8-15/h2-7,9,16H,1H3.
What are the key properties of 5-chloro-2-[1-(furan-2-yl)ethylamino]benzonitrile?
5-chloro-2-[1-(furan-2-yl)ethylamino]benzonitrile has a molecular weight of 246.70 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[1-(furan-2-yl)ethylamino]benzonitrile is sourced from PubChem (CID 62494326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).