N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-9H-xanthene-9-carboxamide

C25H17ClN2O3 — CID 95395767

IUPACN-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-9H-xanthene-9-carboxamide
SMILESO=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C25H17ClN2O3/c26-17-7-5-6-16(14-17)21-13-12-18(30-21)15-27-28-25(29)24-19-8-1-3-10-22(19)31-23-11-4-2-9-20(23)24/h1-15,24H,(H,28,29)/b27-15-
InChIKeyJTGFTQCWBWZNCO-DICXZTSXSA-N
MW428.88 g/mol
LogP5.99
Rot. Bonds4

About N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-9H-xanthene-9-carboxamide

N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-9H-xanthene-9-carboxamide (PubChem CID 95395767) has the molecular formula C25H17ClN2O3 and a molecular weight of 428.88 g/mol. Its IUPAC name is N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-9H-xanthene-9-carboxamide
PubChem CID95395767
Molecular FormulaC25H17ClN2O3
Molecular Weight428.88 g/mol
Exact Mass428.09
IUPAC NameN-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-9H-xanthene-9-carboxamide
SMILESO=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C25H17ClN2O3/c26-17-7-5-6-16(14-17)21-13-12-18(30-21)15-27-28-25(29)24-19-8-1-3-10-22(19)31-23-11-4-2-9-20(23)24/h1-15,24H,(H,28,29)/b27-15-
InChIKeyJTGFTQCWBWZNCO-DICXZTSXSA-N
XLogP5.99
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.88
LogP ≤ 55.99
H-Bond Donors ≤ 51
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)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-9H-xanthene-9-carboxamide
CID 53371400
3-[5-[(E)-(9H-xanthene-9-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 19577680
5-[(9H-xanthene-9-carbonylhydrazinylidene)methyl]furan-2-sulfonate
CID 3155195
N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-9H-xanthene-9-carboxamide
CID 53371403
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 2831961
(3R,4R)-N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 7332702
N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 26074510
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-9H-xanthene-9-carboxamide
CID 51653658
N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 94837463
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 947541
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-3,5-dimethoxybenzamide
CID 3461046
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-methylanilino)acetamide
CID 1356875

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-9H-xanthene-9-carboxamide (CID 95395767) is N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-9H-xanthene-9-carboxamide is O=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-9H-xanthene-9-carboxamide?
The InChIKey is JTGFTQCWBWZNCO-DICXZTSXSA-N. The full InChI is InChI=1S/C25H17ClN2O3/c26-17-7-5-6-16(14-17)21-13-12-18(30-21)15-27-28-25(29)24-19-8-1-3-10-22(19)31-23-11-4-2-9-20(23)24/h1-15,24H,(H,28,29)/b27-15-.
What are the key properties of N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-9H-xanthene-9-carboxamide?
N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-9H-xanthene-9-carboxamide has a molecular weight of 428.88 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 95395767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).