4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzonitrile

C12H8Cl2N2O — CID 60780223

IUPAC4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzonitrile
SMILESN#Cc1ccc(Cl)cc1NCc1ccc(Cl)o1
InChIInChI=1S/C12H8Cl2N2O/c13-9-2-1-8(6-15)11(5-9)16-7-10-3-4-12(14)17-10/h1-5,16H,7H2
InChIKeyWIWBLZDAXFUFII-UHFFFAOYSA-N
MW267.12 g/mol
LogP4.07
Rot. Bonds3

About 4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzonitrile

4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzonitrile (PubChem CID 60780223) has the molecular formula C12H8Cl2N2O and a molecular weight of 267.12 g/mol. Its IUPAC name is 4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzonitrile.

Molecular Properties

Compound Name4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzonitrile
PubChem CID60780223
Molecular FormulaC12H8Cl2N2O
Molecular Weight267.12 g/mol
Exact Mass266.00
IUPAC Name4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzonitrile
SMILESN#Cc1ccc(Cl)cc1NCc1ccc(Cl)o1
InChIInChI=1S/C12H8Cl2N2O/c13-9-2-1-8(6-15)11(5-9)16-7-10-3-4-12(14)17-10/h1-5,16H,7H2
InChIKeyWIWBLZDAXFUFII-UHFFFAOYSA-N
XLogP4.07
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylamino)-4-chlorobenzonitrile
CID 43681577
4-chloro-2-(thiophen-2-ylmethylamino)benzonitrile
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CID 43681545
3-[(5-chlorofuran-2-yl)methylamino]-4-methylbenzonitrile
CID 62105766
4-chloro-2-[(5-methylthiophen-2-yl)methylamino]benzonitrile
CID 43681437
2-(5-chloro-2-cyanoanilino)acetic acid
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4-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzonitrile
CID 63082603
methyl 4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzoate
CID 60780204
4-chloro-2-[(2,3-dihydroxyphenyl)methylamino]benzonitrile
CID 61319496
4-chloro-2-[(5-chloro-2-methoxyphenyl)methylamino]benzonitrile
CID 61036659
4-chloro-2-[(2-chloro-4-fluorophenyl)methylamino]benzonitrile
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4-chloro-2-[(2,4-dihydroxyphenyl)methylamino]benzonitrile
CID 43681566

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzonitrile?
The IUPAC name of 4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzonitrile (CID 60780223) is 4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzonitrile.
What is the SMILES notation for 4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzonitrile?
The canonical SMILES for 4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzonitrile is N#Cc1ccc(Cl)cc1NCc1ccc(Cl)o1.
What is the InChIKey of 4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzonitrile?
The InChIKey is WIWBLZDAXFUFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O/c13-9-2-1-8(6-15)11(5-9)16-7-10-3-4-12(14)17-10/h1-5,16H,7H2.
What are the key properties of 4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzonitrile?
4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzonitrile has a molecular weight of 267.12 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzonitrile is sourced from PubChem (CID 60780223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).