N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide

C17H12Cl2N2O4 — CID 150627229

IUPACN-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N/N=C\c2cc(Cl)cc(Cl)c2O)oc2cccc(O)c12
InChIInChI=1S/C17H12Cl2N2O4/c1-8-14-12(22)3-2-4-13(14)25-16(8)17(24)21-20-7-9-5-10(18)6-11(19)15(9)23/h2-7,22-23H,1H3,(H,21,24)/b20-7-
InChIKeyIXDLGSOYWMBVPK-SCDVKCJHSA-N
MW379.20 g/mol
LogP4.22
Rot. Bonds3

About N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide

N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 150627229) has the molecular formula C17H12Cl2N2O4 and a molecular weight of 379.20 g/mol. Its IUPAC name is N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID150627229
Molecular FormulaC17H12Cl2N2O4
Molecular Weight379.20 g/mol
Exact Mass378.02
IUPAC NameN-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N/N=C\c2cc(Cl)cc(Cl)c2O)oc2cccc(O)c12
InChIInChI=1S/C17H12Cl2N2O4/c1-8-14-12(22)3-2-4-13(14)25-16(8)17(24)21-20-7-9-5-10(18)6-11(19)15(9)23/h2-7,22-23H,1H3,(H,21,24)/b20-7-
InChIKeyIXDLGSOYWMBVPK-SCDVKCJHSA-N
XLogP4.22
TPSA95.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 54.22
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)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide (CID 150627229) is N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)N/N=C\c2cc(Cl)cc(Cl)c2O)oc2cccc(O)c12.
What is the InChIKey of N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is IXDLGSOYWMBVPK-SCDVKCJHSA-N. The full InChI is InChI=1S/C17H12Cl2N2O4/c1-8-14-12(22)3-2-4-13(14)25-16(8)17(24)21-20-7-9-5-10(18)6-11(19)15(9)23/h2-7,22-23H,1H3,(H,21,24)/b20-7-.
What are the key properties of N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide?
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 379.20 g/mol, XLogP of 4.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 150627229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).