3-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile

C15H12N2O — CID 104663697

IUPAC3-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile
SMILESN#Cc1cccc(NC2COc3ccccc32)c1
InChIInChI=1S/C15H12N2O/c16-9-11-4-3-5-12(8-11)17-14-10-18-15-7-2-1-6-13(14)15/h1-8,14,17H,10H2
InChIKeyGARSUTZQAQECQY-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.10
Rot. Bonds2

About 3-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile

3-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile (PubChem CID 104663697) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile
PubChem CID104663697
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name3-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile
SMILESN#Cc1cccc(NC2COc3ccccc32)c1
InChIInChI=1S/C15H12N2O/c16-9-11-4-3-5-12(8-11)17-14-10-18-15-7-2-1-6-13(14)15/h1-8,14,17H,10H2
InChIKeyGARSUTZQAQECQY-UHFFFAOYSA-N
XLogP3.10
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]benzonitrile
CID 63378992
3-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]benzonitrile
CID 43762546
2-(2,3-dihydro-1-benzofuran-3-ylamino)-6-fluorobenzonitrile
CID 78983698
3-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]benzonitrile
CID 79226743
4-bromo-2-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile
CID 114901907
4-N-(2,3-dihydro-1-benzofuran-3-yl)-2-N-methylpyridine-2,4-diamine
CID 113367866
3-(cyclododecylamino)benzonitrile
CID 63422717
3-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]benzonitrile
CID 82687712
6-(2,3-dihydro-1-benzofuran-3-ylamino)-3-nitropyridine-2-carbonitrile
CID 103471706
3-(2,3-dihydro-1-benzofuran-3-ylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 62065580
4-(2,3-dihydro-1-benzofuran-3-ylamino)-2-methylbenzoic acid
CID 81282707
5-(2,3-dihydro-1-benzofuran-3-ylamino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375468

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile (CID 104663697) is 3-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile is N#Cc1cccc(NC2COc3ccccc32)c1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile?
The InChIKey is GARSUTZQAQECQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c16-9-11-4-3-5-12(8-11)17-14-10-18-15-7-2-1-6-13(14)15/h1-8,14,17H,10H2.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile?
3-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile has a molecular weight of 236.27 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile is sourced from PubChem (CID 104663697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).