(3-amino-1-benzofuran-2-yl)-(4-chlorophenyl)methanone

C15H10ClNO2 — CID 623089

IUPAC(3-amino-1-benzofuran-2-yl)-(4-chlorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C15H10ClNO2/c16-10-7-5-9(6-8-10)14(18)15-13(17)11-3-1-2-4-12(11)19-15/h1-8H,17H2
InChIKeyNUBVALAAYASFDS-UHFFFAOYSA-N
MW271.70 g/mol
LogP3.90
Rot. Bonds2

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

(3-amino-1-benzofuran-2-yl)-(4-chlorophenyl)methanone (PubChem CID 623089) has the molecular formula C15H10ClNO2 and a molecular weight of 271.70 g/mol. Its IUPAC name is (3-amino-1-benzofuran-2-yl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-1-benzofuran-2-yl)-(4-chlorophenyl)methanone
PubChem CID623089
Molecular FormulaC15H10ClNO2
Molecular Weight271.70 g/mol
Exact Mass271.04
IUPAC Name(3-amino-1-benzofuran-2-yl)-(4-chlorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C15H10ClNO2/c16-10-7-5-9(6-8-10)14(18)15-13(17)11-3-1-2-4-12(11)19-15/h1-8H,17H2
InChIKeyNUBVALAAYASFDS-UHFFFAOYSA-N
XLogP3.90
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 53.90
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)-(4-chlorophenyl)methanone?
The IUPAC name of (3-amino-1-benzofuran-2-yl)-(4-chlorophenyl)methanone (CID 623089) is (3-amino-1-benzofuran-2-yl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (3-amino-1-benzofuran-2-yl)-(4-chlorophenyl)methanone?
The canonical SMILES for (3-amino-1-benzofuran-2-yl)-(4-chlorophenyl)methanone is Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12.
What is the InChIKey of (3-amino-1-benzofuran-2-yl)-(4-chlorophenyl)methanone?
The InChIKey is NUBVALAAYASFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO2/c16-10-7-5-9(6-8-10)14(18)15-13(17)11-3-1-2-4-12(11)19-15/h1-8H,17H2.
What are the key properties of (3-amino-1-benzofuran-2-yl)-(4-chlorophenyl)methanone?
(3-amino-1-benzofuran-2-yl)-(4-chlorophenyl)methanone has a molecular weight of 271.70 g/mol, XLogP of 3.90, 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)-(4-chlorophenyl)methanone is sourced from PubChem (CID 623089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).