(3-amino-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanone

C15H9Cl2NO2 — CID 16778680

IUPAC(3-amino-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(Cl)cc2Cl)oc2ccccc12
InChIInChI=1S/C15H9Cl2NO2/c16-8-5-6-9(11(17)7-8)14(19)15-13(18)10-3-1-2-4-12(10)20-15/h1-7H,18H2
InChIKeyJQUJYJFPXCWDPF-UHFFFAOYSA-N
MW306.15 g/mol
LogP4.55
Rot. Bonds2

About (3-amino-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanone

(3-amino-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanone (PubChem CID 16778680) has the molecular formula C15H9Cl2NO2 and a molecular weight of 306.15 g/mol. Its IUPAC name is (3-amino-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanone
PubChem CID16778680
Molecular FormulaC15H9Cl2NO2
Molecular Weight306.15 g/mol
Exact Mass305.00
IUPAC Name(3-amino-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(Cl)cc2Cl)oc2ccccc12
InChIInChI=1S/C15H9Cl2NO2/c16-8-5-6-9(11(17)7-8)14(19)15-13(18)10-3-1-2-4-12(10)20-15/h1-7H,18H2
InChIKeyJQUJYJFPXCWDPF-UHFFFAOYSA-N
XLogP4.55
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanone?
The IUPAC name of (3-amino-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanone (CID 16778680) is (3-amino-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanone.
What is the SMILES notation for (3-amino-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanone?
The canonical SMILES for (3-amino-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanone is Nc1c(C(=O)c2ccc(Cl)cc2Cl)oc2ccccc12.
What is the InChIKey of (3-amino-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanone?
The InChIKey is JQUJYJFPXCWDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO2/c16-8-5-6-9(11(17)7-8)14(19)15-13(18)10-3-1-2-4-12(10)20-15/h1-7H,18H2.
What are the key properties of (3-amino-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanone?
(3-amino-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanone has a molecular weight of 306.15 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanone is sourced from PubChem (CID 16778680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).