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

C15H11BrN2O — CID 114901907

IUPAC4-bromo-2-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile
SMILESN#Cc1ccc(Br)cc1NC1COc2ccccc21
InChIInChI=1S/C15H11BrN2O/c16-11-6-5-10(8-17)13(7-11)18-14-9-19-15-4-2-1-3-12(14)15/h1-7,14,18H,9H2
InChIKeyWWMATMJNSJVWBL-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.87
Rot. Bonds2

About 4-bromo-2-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile

4-bromo-2-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile (PubChem CID 114901907) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 4-bromo-2-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile.

Molecular Properties

Compound Name4-bromo-2-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile
PubChem CID114901907
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name4-bromo-2-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile
SMILESN#Cc1ccc(Br)cc1NC1COc2ccccc21
InChIInChI=1S/C15H11BrN2O/c16-11-6-5-10(8-17)13(7-11)18-14-9-19-15-4-2-1-3-12(14)15/h1-7,14,18H,9H2
InChIKeyWWMATMJNSJVWBL-UHFFFAOYSA-N
XLogP3.87
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile?
The IUPAC name of 4-bromo-2-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile (CID 114901907) is 4-bromo-2-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile.
What is the SMILES notation for 4-bromo-2-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile?
The canonical SMILES for 4-bromo-2-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile is N#Cc1ccc(Br)cc1NC1COc2ccccc21.
What is the InChIKey of 4-bromo-2-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile?
The InChIKey is WWMATMJNSJVWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c16-11-6-5-10(8-17)13(7-11)18-14-9-19-15-4-2-1-3-12(14)15/h1-7,14,18H,9H2.
What are the key properties of 4-bromo-2-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile?
4-bromo-2-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile has a molecular weight of 315.17 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile is sourced from PubChem (CID 114901907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).