N-[(E)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide

C25H18ClN3O5 — CID 19657729

IUPACN-[(E)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide
SMILESO=C(N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C25H18ClN3O5/c26-21-12-10-18(14-22(21)29(31)32)23-13-11-19(34-23)15-27-28-25(30)20-8-4-5-9-24(20)33-16-17-6-2-1-3-7-17/h1-15H,16H2,(H,28,30)/b27-15+
InChIKeyRUSZEPCZOXCQBS-JFLMPSFJSA-N
MW475.89 g/mol
LogP5.85
Rot. Bonds8

About N-[(E)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide

N-[(E)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide (PubChem CID 19657729) has the molecular formula C25H18ClN3O5 and a molecular weight of 475.89 g/mol. Its IUPAC name is N-[(E)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(E)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide
PubChem CID19657729
Molecular FormulaC25H18ClN3O5
Molecular Weight475.89 g/mol
Exact Mass475.09
IUPAC NameN-[(E)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide
SMILESO=C(N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C25H18ClN3O5/c26-21-12-10-18(14-22(21)29(31)32)23-13-11-19(34-23)15-27-28-25(30)20-8-4-5-9-24(20)33-16-17-6-2-1-3-7-17/h1-15H,16H2,(H,28,30)/b27-15+
InChIKeyRUSZEPCZOXCQBS-JFLMPSFJSA-N
XLogP5.85
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.89
LogP ≤ 55.85
H-Bond Donors ≤ 51
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'}

Analyze N-[(E)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide
CID 6873079
N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657732
N-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 50883784
4-[5-[(E)-[(2-phenylmethoxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 19657844
N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide
CID 5497492
4-[5-[(E)-[[2-[(2-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 19657386
N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 6178813
N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 126364328
N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
CID 19657477
N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-propoxybenzamide
CID 4931391
N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]naphthalene-1-carboxamide
CID 126183671
4-amino-N-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 3097054

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide?
The IUPAC name of N-[(E)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide (CID 19657729) is N-[(E)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide.
What is the SMILES notation for N-[(E)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide?
The canonical SMILES for N-[(E)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide is O=C(N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccccc1OCc1ccccc1.
What is the InChIKey of N-[(E)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide?
The InChIKey is RUSZEPCZOXCQBS-JFLMPSFJSA-N. The full InChI is InChI=1S/C25H18ClN3O5/c26-21-12-10-18(14-22(21)29(31)32)23-13-11-19(34-23)15-27-28-25(30)20-8-4-5-9-24(20)33-16-17-6-2-1-3-7-17/h1-15H,16H2,(H,28,30)/b27-15+.
What are the key properties of N-[(E)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide?
N-[(E)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide has a molecular weight of 475.89 g/mol, XLogP of 5.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide is sourced from PubChem (CID 19657729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).