N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-hydroxynaphthalene-2-carboxamide

C22H14Cl2N2O3 — CID 3105317

IUPACN-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-hydroxynaphthalene-2-carboxamide
SMILESO=C(NN=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc2ccccc2c1O
InChIInChI=1S/C22H14Cl2N2O3/c23-14-6-9-17(19(24)11-14)20-10-7-15(29-20)12-25-26-22(28)18-8-5-13-3-1-2-4-16(13)21(18)27/h1-12,27H,(H,26,28)
InChIKeyVWCGVTCUOSUYRC-UHFFFAOYSA-N
MW425.27 g/mol
LogP5.88
Rot. Bonds4

About N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-hydroxynaphthalene-2-carboxamide

N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-hydroxynaphthalene-2-carboxamide (PubChem CID 3105317) has the molecular formula C22H14Cl2N2O3 and a molecular weight of 425.27 g/mol. Its IUPAC name is N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-hydroxynaphthalene-2-carboxamide
PubChem CID3105317
Molecular FormulaC22H14Cl2N2O3
Molecular Weight425.27 g/mol
Exact Mass424.04
IUPAC NameN-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-hydroxynaphthalene-2-carboxamide
SMILESO=C(NN=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc2ccccc2c1O
InChIInChI=1S/C22H14Cl2N2O3/c23-14-6-9-17(19(24)11-14)20-10-7-15(29-20)12-25-26-22(28)18-8-5-13-3-1-2-4-16(13)21(18)27/h1-12,27H,(H,26,28)
InChIKeyVWCGVTCUOSUYRC-UHFFFAOYSA-N
XLogP5.88
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.27
LogP ≤ 55.88
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

1-hydroxy-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]naphthalene-2-carboxamide
CID 5341086
2,4-dichloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 136750620
N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126042034
N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-naphthalen-1-ylacetamide
CID 6321807
2-bromo-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]benzamide
CID 41339727
5-bromo-N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide
CID 21370754
N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3104265
N-(benzylideneamino)-1-hydroxynaphthalene-2-carboxamide
CID 4115727
2,4-dichloro-N-(naphthalen-1-ylmethylideneamino)benzamide
CID 5070346
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
CID 4312260
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide
CID 6019936
(2R)-2-benzylsulfanyl-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]propanamide
CID 40840186

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-hydroxynaphthalene-2-carboxamide (CID 3105317) is N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-hydroxynaphthalene-2-carboxamide is O=C(NN=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc2ccccc2c1O.
What is the InChIKey of N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-hydroxynaphthalene-2-carboxamide?
The InChIKey is VWCGVTCUOSUYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N2O3/c23-14-6-9-17(19(24)11-14)20-10-7-15(29-20)12-25-26-22(28)18-8-5-13-3-1-2-4-16(13)21(18)27/h1-12,27H,(H,26,28).
What are the key properties of N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-hydroxynaphthalene-2-carboxamide?
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-hydroxynaphthalene-2-carboxamide has a molecular weight of 425.27 g/mol, XLogP of 5.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 3105317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).