N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide

C17H13ClN2O4 — CID 150344629

IUPACN-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N/N=C\c2c(O)cccc2Cl)oc2cccc(O)c12
InChIInChI=1S/C17H13ClN2O4/c1-9-15-13(22)6-3-7-14(15)24-16(9)17(23)20-19-8-10-11(18)4-2-5-12(10)21/h2-8,21-22H,1H3,(H,20,23)/b19-8-
InChIKeyGSKVPZGSIQFVDM-UWVJOHFNSA-N
MW344.75 g/mol
LogP3.57
Rot. Bonds3

About N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide

N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 150344629) has the molecular formula C17H13ClN2O4 and a molecular weight of 344.75 g/mol. Its IUPAC name is N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID150344629
Molecular FormulaC17H13ClN2O4
Molecular Weight344.75 g/mol
Exact Mass344.06
IUPAC NameN-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N/N=C\c2c(O)cccc2Cl)oc2cccc(O)c12
InChIInChI=1S/C17H13ClN2O4/c1-9-15-13(22)6-3-7-14(15)24-16(9)17(23)20-19-8-10-11(18)4-2-5-12(10)21/h2-8,21-22H,1H3,(H,20,23)/b19-8-
InChIKeyGSKVPZGSIQFVDM-UWVJOHFNSA-N
XLogP3.57
TPSA95.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide (CID 150344629) is N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)N/N=C\c2c(O)cccc2Cl)oc2cccc(O)c12.
What is the InChIKey of N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is GSKVPZGSIQFVDM-UWVJOHFNSA-N. The full InChI is InChI=1S/C17H13ClN2O4/c1-9-15-13(22)6-3-7-14(15)24-16(9)17(23)20-19-8-10-11(18)4-2-5-12(10)21/h2-8,21-22H,1H3,(H,20,23)/b19-8-.
What are the key properties of N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide?
N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 344.75 g/mol, XLogP of 3.57, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 150344629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).