(2-amino-5-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone

C16H12ClNO3 — CID 114737213

IUPAC(2-amino-5-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone
SMILESCOc1ccc(N)c(C(=O)c2cc3cccc(Cl)c3o2)c1
InChIInChI=1S/C16H12ClNO3/c1-20-10-5-6-13(18)11(8-10)15(19)14-7-9-3-2-4-12(17)16(9)21-14/h2-8H,18H2,1H3
InChIKeyIBOJYDOTDBPOAQ-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.91
Rot. Bonds3

About (2-amino-5-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone

(2-amino-5-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone (PubChem CID 114737213) has the molecular formula C16H12ClNO3 and a molecular weight of 301.73 g/mol. Its IUPAC name is (2-amino-5-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone
PubChem CID114737213
Molecular FormulaC16H12ClNO3
Molecular Weight301.73 g/mol
Exact Mass301.05
IUPAC Name(2-amino-5-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone
SMILESCOc1ccc(N)c(C(=O)c2cc3cccc(Cl)c3o2)c1
InChIInChI=1S/C16H12ClNO3/c1-20-10-5-6-13(18)11(8-10)15(19)14-7-9-3-2-4-12(17)16(9)21-14/h2-8H,18H2,1H3
InChIKeyIBOJYDOTDBPOAQ-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

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

(7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanone
CID 115810745
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-methoxyphenyl)methanone
CID 115810736
(3-bromo-4-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 115810874
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 112614525
(7-chloro-1-benzofuran-2-yl)-(2,3-dimethylphenyl)methanone
CID 115810708
(4-methoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 54103779
(7-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methanone
CID 114725319
(7-chloro-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methanone
CID 114726090
(2,4-dichlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanone
CID 1480056
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2,5-difluorophenyl)methanone
CID 115810891
7-chloro-N-methyl-1-benzofuran-2-carboxamide
CID 84586183
(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanone
CID 114725112

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone?
The IUPAC name of (2-amino-5-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone (CID 114737213) is (2-amino-5-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (2-amino-5-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone?
The canonical SMILES for (2-amino-5-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone is COc1ccc(N)c(C(=O)c2cc3cccc(Cl)c3o2)c1.
What is the InChIKey of (2-amino-5-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone?
The InChIKey is IBOJYDOTDBPOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO3/c1-20-10-5-6-13(18)11(8-10)15(19)14-7-9-3-2-4-12(17)16(9)21-14/h2-8H,18H2,1H3.
What are the key properties of (2-amino-5-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone?
(2-amino-5-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)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 (2-amino-5-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 114737213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).