N-[(E)-(2,3-dichlorophenyl)methylideneamino]-9H-xanthene-9-carboxamide

C21H14Cl2N2O2 — CID 51653658

IUPACN-[(E)-(2,3-dichlorophenyl)methylideneamino]-9H-xanthene-9-carboxamide
SMILESO=C(N/N=C/c1cccc(Cl)c1Cl)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H14Cl2N2O2/c22-16-9-5-6-13(20(16)23)12-24-25-21(26)19-14-7-1-3-10-17(14)27-18-11-4-2-8-15(18)19/h1-12,19H,(H,25,26)/b24-12+
InChIKeyQOOXDWKODBCGST-WYMPLXKRSA-N
MW397.26 g/mol
LogP5.38
Rot. Bonds3

About N-[(E)-(2,3-dichlorophenyl)methylideneamino]-9H-xanthene-9-carboxamide

N-[(E)-(2,3-dichlorophenyl)methylideneamino]-9H-xanthene-9-carboxamide (PubChem CID 51653658) has the molecular formula C21H14Cl2N2O2 and a molecular weight of 397.26 g/mol. Its IUPAC name is N-[(E)-(2,3-dichlorophenyl)methylideneamino]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,3-dichlorophenyl)methylideneamino]-9H-xanthene-9-carboxamide
PubChem CID51653658
Molecular FormulaC21H14Cl2N2O2
Molecular Weight397.26 g/mol
Exact Mass396.04
IUPAC NameN-[(E)-(2,3-dichlorophenyl)methylideneamino]-9H-xanthene-9-carboxamide
SMILESO=C(N/N=C/c1cccc(Cl)c1Cl)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H14Cl2N2O2/c22-16-9-5-6-13(20(16)23)12-24-25-21(26)19-14-7-1-3-10-17(14)27-18-11-4-2-8-15(18)19/h1-12,19H,(H,25,26)/b24-12+
InChIKeyQOOXDWKODBCGST-WYMPLXKRSA-N
XLogP5.38
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.26
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(2,3-dichlorophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2837147
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-9H-xanthene-9-carboxamide
CID 135578951
N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]-9H-xanthene-9-carboxamide
CID 135643720
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 6294643
N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-9H-xanthene-9-carboxamide
CID 95395767
N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-9H-xanthene-9-carboxamide
CID 53371400
trans-(1R,2R)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 5392525
5-[(9H-xanthene-9-carbonylhydrazinylidene)methyl]furan-2-sulfonate
CID 3155195
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 171981130
3-[5-[(E)-(9H-xanthene-9-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 19577680
N-[(E)-(2,3-dichlorophenyl)methylideneamino]propanamide
CID 154646210
N-[(E)-(2-chlorophenyl)methylideneamino]cyclopropanecarboxamide
CID 5334576

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,3-dichlorophenyl)methylideneamino]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[(E)-(2,3-dichlorophenyl)methylideneamino]-9H-xanthene-9-carboxamide (CID 51653658) is N-[(E)-(2,3-dichlorophenyl)methylideneamino]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[(E)-(2,3-dichlorophenyl)methylideneamino]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[(E)-(2,3-dichlorophenyl)methylideneamino]-9H-xanthene-9-carboxamide is O=C(N/N=C/c1cccc(Cl)c1Cl)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[(E)-(2,3-dichlorophenyl)methylideneamino]-9H-xanthene-9-carboxamide?
The InChIKey is QOOXDWKODBCGST-WYMPLXKRSA-N. The full InChI is InChI=1S/C21H14Cl2N2O2/c22-16-9-5-6-13(20(16)23)12-24-25-21(26)19-14-7-1-3-10-17(14)27-18-11-4-2-8-15(18)19/h1-12,19H,(H,25,26)/b24-12+.
What are the key properties of N-[(E)-(2,3-dichlorophenyl)methylideneamino]-9H-xanthene-9-carboxamide?
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-9H-xanthene-9-carboxamide has a molecular weight of 397.26 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,3-dichlorophenyl)methylideneamino]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 51653658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).