N-(4-chloro-2-hydroxyphenyl)-5-methoxy-1-benzofuran-2-carboxamide

C16H12ClNO4 — CID 126194096

IUPACN-(4-chloro-2-hydroxyphenyl)-5-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)Nc3ccc(Cl)cc3O)cc2c1
InChIInChI=1S/C16H12ClNO4/c1-21-11-3-5-14-9(6-11)7-15(22-14)16(20)18-12-4-2-10(17)8-13(12)19/h2-8,19H,1H3,(H,18,20)
InChIKeyVBRAABHAYMAZTN-UHFFFAOYSA-N
MW317.73 g/mol
LogP4.05
Rot. Bonds3

About N-(4-chloro-2-hydroxyphenyl)-5-methoxy-1-benzofuran-2-carboxamide

N-(4-chloro-2-hydroxyphenyl)-5-methoxy-1-benzofuran-2-carboxamide (PubChem CID 126194096) has the molecular formula C16H12ClNO4 and a molecular weight of 317.73 g/mol. Its IUPAC name is N-(4-chloro-2-hydroxyphenyl)-5-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-hydroxyphenyl)-5-methoxy-1-benzofuran-2-carboxamide
PubChem CID126194096
Molecular FormulaC16H12ClNO4
Molecular Weight317.73 g/mol
Exact Mass317.05
IUPAC NameN-(4-chloro-2-hydroxyphenyl)-5-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)Nc3ccc(Cl)cc3O)cc2c1
InChIInChI=1S/C16H12ClNO4/c1-21-11-3-5-14-9(6-11)7-15(22-14)16(20)18-12-4-2-10(17)8-13(12)19/h2-8,19H,1H3,(H,18,20)
InChIKeyVBRAABHAYMAZTN-UHFFFAOYSA-N
XLogP4.05
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-(4-chloro-2-hydroxyphenyl)-5-methoxy-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 51432206
5-chloro-N-(4-chloro-2-methylphenyl)-1-benzofuran-2-carboxamide
CID 9138973
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797594
5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 19240981
N-(2,5-dichlorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 1337843
N-(4-bromo-2-methylphenyl)-5-chloro-1-benzofuran-2-carboxamide
CID 9159182
N-(4-chloro-2-cyanophenyl)-6-methoxy-1-oxoisochromene-3-carboxamide
CID 175651969
N-(3-bromophenyl)-5-methoxy-1-benzofuran-2-carboxamide
CID 51432230
5-chloro-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 9138991
ethyl 2-[(5-chloro-1-benzofuran-2-carbonyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate
CID 19241025
6-chloro-N-(2,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 7223522
(3,4-dichlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797612

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-hydroxyphenyl)-5-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-chloro-2-hydroxyphenyl)-5-methoxy-1-benzofuran-2-carboxamide (CID 126194096) is N-(4-chloro-2-hydroxyphenyl)-5-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-hydroxyphenyl)-5-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-hydroxyphenyl)-5-methoxy-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)Nc3ccc(Cl)cc3O)cc2c1.
What is the InChIKey of N-(4-chloro-2-hydroxyphenyl)-5-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is VBRAABHAYMAZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO4/c1-21-11-3-5-14-9(6-11)7-15(22-14)16(20)18-12-4-2-10(17)8-13(12)19/h2-8,19H,1H3,(H,18,20).
What are the key properties of N-(4-chloro-2-hydroxyphenyl)-5-methoxy-1-benzofuran-2-carboxamide?
N-(4-chloro-2-hydroxyphenyl)-5-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 317.73 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-hydroxyphenyl)-5-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 126194096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).