N-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide

C25H18ClN3O5 — CID 3958569

IUPACN-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
SMILESO=C(NN=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H18ClN3O5/c26-22-13-11-19(29(32)33)15-21(22)23-14-12-20(34-23)16-27-28-24(30)25(31,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16,31H,(H,28,30)
InChIKeyCEKAACAAWUNXLD-UHFFFAOYSA-N
MW475.89 g/mol
LogP4.89
Rot. Bonds7

About N-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide

N-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide (PubChem CID 3958569) has the molecular formula C25H18ClN3O5 and a molecular weight of 475.89 g/mol. Its IUPAC name is N-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
PubChem CID3958569
Molecular FormulaC25H18ClN3O5
Molecular Weight475.89 g/mol
Exact Mass475.09
IUPAC NameN-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
SMILESO=C(NN=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H18ClN3O5/c26-22-13-11-19(29(32)33)15-21(22)23-14-12-20(34-23)16-27-28-24(30)25(31,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16,31H,(H,28,30)
InChIKeyCEKAACAAWUNXLD-UHFFFAOYSA-N
XLogP4.89
TPSA117.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.89
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[(E)-[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylideneamino]-2,2-diphenylacetamide
CID 137062754
N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]oxamide
CID 18530001
2-anilino-N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 5443599
N-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 171138890
3,4-dichloro-N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 94846692
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 7368852
N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-1H-indole-3-carboxamide
CID 6010515
N-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-methylanilino)acetamide
CID 1118885
2-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 6881941
N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 6882170
1-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea
CID 1379769
N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-3,5-dimethoxybenzamide
CID 6078144

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The IUPAC name of N-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide (CID 3958569) is N-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide.
What is the SMILES notation for N-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The canonical SMILES for N-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide is O=C(NN=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The InChIKey is CEKAACAAWUNXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN3O5/c26-22-13-11-19(29(32)33)15-21(22)23-14-12-20(34-23)16-27-28-24(30)25(31,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16,31H,(H,28,30).
What are the key properties of N-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
N-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide has a molecular weight of 475.89 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide is sourced from PubChem (CID 3958569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).