N-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide

C23H17ClN2O4 — CID 135633688

IUPACN-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
SMILESCOc1cc(/N=C/c2cc(Cl)ccc2O)ccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C23H17ClN2O4/c1-29-21-12-17(25-13-15-10-16(24)6-9-19(15)27)7-8-18(21)26-23(28)22-11-14-4-2-3-5-20(14)30-22/h2-13,27H,1H3,(H,26,28)/b25-13+
InChIKeyHTIFNTLILXJPOF-DHRITJCHSA-N
MW420.85 g/mol
LogP5.80
Rot. Bonds5

About N-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide

N-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide (PubChem CID 135633688) has the molecular formula C23H17ClN2O4 and a molecular weight of 420.85 g/mol. Its IUPAC name is N-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
PubChem CID135633688
Molecular FormulaC23H17ClN2O4
Molecular Weight420.85 g/mol
Exact Mass420.09
IUPAC NameN-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
SMILESCOc1cc(/N=C/c2cc(Cl)ccc2O)ccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C23H17ClN2O4/c1-29-21-12-17(25-13-15-10-16(24)6-9-19(15)27)7-8-18(21)26-23(28)22-11-14-4-2-3-5-20(14)30-22/h2-13,27H,1H3,(H,26,28)/b25-13+
InChIKeyHTIFNTLILXJPOF-DHRITJCHSA-N
XLogP5.80
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.85
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxyphenyl]-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

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide (CID 135633688) is N-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide is COc1cc(/N=C/c2cc(Cl)ccc2O)ccc1NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide?
The InChIKey is HTIFNTLILXJPOF-DHRITJCHSA-N. The full InChI is InChI=1S/C23H17ClN2O4/c1-29-21-12-17(25-13-15-10-16(24)6-9-19(15)27)7-8-18(21)26-23(28)22-11-14-4-2-3-5-20(14)30-22/h2-13,27H,1H3,(H,26,28)/b25-13+.
What are the key properties of N-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide?
N-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide has a molecular weight of 420.85 g/mol, XLogP of 5.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 135633688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).