(2-amino-3-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone

C15H11Cl2NO2 — CID 104544267

IUPAC(2-amino-3-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone
SMILESNc1c(Cl)cccc1C(=O)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C15H11Cl2NO2/c16-9-6-8-4-5-20-15(8)11(7-9)14(19)10-2-1-3-12(17)13(10)18/h1-3,6-7H,4-5,18H2
InChIKeyRQIYXBSWBVPKEA-UHFFFAOYSA-N
MW308.16 g/mol
LogP3.74
Rot. Bonds2

About (2-amino-3-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone

(2-amino-3-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone (PubChem CID 104544267) has the molecular formula C15H11Cl2NO2 and a molecular weight of 308.16 g/mol. Its IUPAC name is (2-amino-3-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone
PubChem CID104544267
Molecular FormulaC15H11Cl2NO2
Molecular Weight308.16 g/mol
Exact Mass307.02
IUPAC Name(2-amino-3-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone
SMILESNc1c(Cl)cccc1C(=O)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C15H11Cl2NO2/c16-9-6-8-4-5-20-15(8)11(7-9)14(19)10-2-1-3-12(17)13(10)18/h1-3,6-7H,4-5,18H2
InChIKeyRQIYXBSWBVPKEA-UHFFFAOYSA-N
XLogP3.74
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-amino-3-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone
CID 104544276
(5-amino-2,4-dimethylphenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone
CID 102707076
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(3-chloro-4-iodophenyl)methanone
CID 103219837
(3-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone
CID 107998411
(3-amino-5-bromo-2-methylphenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone
CID 107874215
(5-chloro-2-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814244
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4,6-trimethylphenyl)methanone
CID 104544697
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(3-methylthiophen-2-yl)methanone
CID 113425375
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-cycloheptylmethanone
CID 113425372
(2-bromo-4-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 114025606
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(4,5-dibromothiophen-2-yl)methanone
CID 104544748
4-chloro-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)butan-1-one
CID 105400931

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone?
The IUPAC name of (2-amino-3-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone (CID 104544267) is (2-amino-3-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone.
What is the SMILES notation for (2-amino-3-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone?
The canonical SMILES for (2-amino-3-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone is Nc1c(Cl)cccc1C(=O)c1cc(Cl)cc2c1OCC2.
What is the InChIKey of (2-amino-3-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone?
The InChIKey is RQIYXBSWBVPKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO2/c16-9-6-8-4-5-20-15(8)11(7-9)14(19)10-2-1-3-12(17)13(10)18/h1-3,6-7H,4-5,18H2.
What are the key properties of (2-amino-3-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone?
(2-amino-3-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone has a molecular weight of 308.16 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone is sourced from PubChem (CID 104544267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).