(3-amino-5-chloro-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone

C16H12ClNO3 — CID 7013439

IUPAC(3-amino-5-chloro-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2oc3ccc(Cl)cc3c2N)cc1
InChIInChI=1S/C16H12ClNO3/c1-20-11-5-2-9(3-6-11)15(19)16-14(18)12-8-10(17)4-7-13(12)21-16/h2-8H,18H2,1H3
InChIKeyJYGANBYTZMNZOW-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.91
Rot. Bonds3

About (3-amino-5-chloro-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone

(3-amino-5-chloro-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone (PubChem CID 7013439) has the molecular formula C16H12ClNO3 and a molecular weight of 301.73 g/mol. Its IUPAC name is (3-amino-5-chloro-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-5-chloro-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone
PubChem CID7013439
Molecular FormulaC16H12ClNO3
Molecular Weight301.73 g/mol
Exact Mass301.05
IUPAC Name(3-amino-5-chloro-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2oc3ccc(Cl)cc3c2N)cc1
InChIInChI=1S/C16H12ClNO3/c1-20-11-5-2-9(3-6-11)15(19)16-14(18)12-8-10(17)4-7-13(12)21-16/h2-8H,18H2,1H3
InChIKeyJYGANBYTZMNZOW-UHFFFAOYSA-N
XLogP3.91
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-5-chloro-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (3-amino-5-chloro-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone (CID 7013439) is (3-amino-5-chloro-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (3-amino-5-chloro-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (3-amino-5-chloro-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2oc3ccc(Cl)cc3c2N)cc1.
What is the InChIKey of (3-amino-5-chloro-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone?
The InChIKey is JYGANBYTZMNZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO3/c1-20-11-5-2-9(3-6-11)15(19)16-14(18)12-8-10(17)4-7-13(12)21-16/h2-8H,18H2,1H3.
What are the key properties of (3-amino-5-chloro-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone?
(3-amino-5-chloro-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone has a molecular weight of 301.73 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-chloro-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 7013439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).