N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-5-carboxamide

C17H12Cl2N2O3 — CID 141480486

IUPACN-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-5-carboxamide
SMILESCc1coc2ccc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)c(O)c12
InChIInChI=1S/C17H12Cl2N2O3/c1-9-8-24-14-5-4-12(16(22)15(9)14)17(23)21-20-7-10-2-3-11(18)6-13(10)19/h2-8,22H,1H3,(H,21,23)/b20-7+
InChIKeyDKAZPMBNVCKSPL-IFRROFPPSA-N
MW363.20 g/mol
LogP4.52
Rot. Bonds3

About N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-5-carboxamide

N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-5-carboxamide (PubChem CID 141480486) has the molecular formula C17H12Cl2N2O3 and a molecular weight of 363.20 g/mol. Its IUPAC name is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-5-carboxamide
PubChem CID141480486
Molecular FormulaC17H12Cl2N2O3
Molecular Weight363.20 g/mol
Exact Mass362.02
IUPAC NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-5-carboxamide
SMILESCc1coc2ccc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)c(O)c12
InChIInChI=1S/C17H12Cl2N2O3/c1-9-8-24-14-5-4-12(16(22)15(9)14)17(23)21-20-7-10-2-3-11(18)6-13(10)19/h2-8,22H,1H3,(H,21,23)/b20-7+
InChIKeyDKAZPMBNVCKSPL-IFRROFPPSA-N
XLogP4.52
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,3,4-trihydroxybenzamide
CID 71557223
4-hydroxy-3-methyl-N-[(2-nitrophenyl)methylideneamino]-1-benzofuran-5-carboxamide
CID 174851493
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
4-hydroxy-3-methyl-N-(methylideneamino)-1-benzofuran-5-carboxamide;1,3,5-trimethylbenzene
CID 174961315
1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 6894297
[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
2,4-dichloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 136750620
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide
CID 6299939
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxy-3-nitrobenzamide
CID 126092170
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 6162520
2,4-dichloro-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 136661445
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide
CID 6018183

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-5-carboxamide?
The IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-5-carboxamide (CID 141480486) is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-5-carboxamide is Cc1coc2ccc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)c(O)c12.
What is the InChIKey of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-5-carboxamide?
The InChIKey is DKAZPMBNVCKSPL-IFRROFPPSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3/c1-9-8-24-14-5-4-12(16(22)15(9)14)17(23)21-20-7-10-2-3-11(18)6-13(10)19/h2-8,22H,1H3,(H,21,23)/b20-7+.
What are the key properties of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-5-carboxamide?
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-5-carboxamide has a molecular weight of 363.20 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-5-carboxamide is sourced from PubChem (CID 141480486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).