N-(4-fluorophenyl)-N'-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]butanediamide

C24H21FN4O5 — CID 3635114

IUPACN-(4-fluorophenyl)-N'-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1ccc(F)cc1)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C24H21FN4O5/c25-19-5-7-20(8-6-19)27-23(30)13-14-24(31)28-26-15-17-3-11-22(12-4-17)34-16-18-1-9-21(10-2-18)29(32)33/h1-12,15H,13-14,16H2,(H,27,30)(H,28,31)
InChIKeyIYYRIFBQGVCDQO-UHFFFAOYSA-N
MW464.45 g/mol
LogP4.18
Rot. Bonds10

About N-(4-fluorophenyl)-N'-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]butanediamide

N-(4-fluorophenyl)-N'-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]butanediamide (PubChem CID 3635114) has the molecular formula C24H21FN4O5 and a molecular weight of 464.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N'-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N'-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]butanediamide
PubChem CID3635114
Molecular FormulaC24H21FN4O5
Molecular Weight464.45 g/mol
Exact Mass464.15
IUPAC NameN-(4-fluorophenyl)-N'-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1ccc(F)cc1)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C24H21FN4O5/c25-19-5-7-20(8-6-19)27-23(30)13-14-24(31)28-26-15-17-3-11-22(12-4-17)34-16-18-1-9-21(10-2-18)29(32)33/h1-12,15H,13-14,16H2,(H,27,30)(H,28,31)
InChIKeyIYYRIFBQGVCDQO-UHFFFAOYSA-N
XLogP4.18
TPSA122.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.45
LogP ≤ 54.18
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

N'-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]butanediamide
CID 3902755
N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 6167073
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide
CID 21370508
N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide
CID 94847972
2-anilino-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126380906
N-(4-chlorophenyl)-N'-[(4-nitrophenyl)methylideneamino]butanediamide
CID 2293023
N'-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 3637819
N-(2,3-dimethylphenyl)-N'-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]butanediamide
CID 3483823
N-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzenesulfonamide
CID 17338070
4-chloro-N-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 4534000
N'-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-N-phenylbutanediamide
CID 5206383
2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3514578

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N'-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]butanediamide?
The IUPAC name of N-(4-fluorophenyl)-N'-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]butanediamide (CID 3635114) is N-(4-fluorophenyl)-N'-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]butanediamide.
What is the SMILES notation for N-(4-fluorophenyl)-N'-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]butanediamide?
The canonical SMILES for N-(4-fluorophenyl)-N'-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]butanediamide is O=C(CCC(=O)Nc1ccc(F)cc1)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N'-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]butanediamide?
The InChIKey is IYYRIFBQGVCDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O5/c25-19-5-7-20(8-6-19)27-23(30)13-14-24(31)28-26-15-17-3-11-22(12-4-17)34-16-18-1-9-21(10-2-18)29(32)33/h1-12,15H,13-14,16H2,(H,27,30)(H,28,31).
What are the key properties of N-(4-fluorophenyl)-N'-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]butanediamide?
N-(4-fluorophenyl)-N'-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]butanediamide has a molecular weight of 464.45 g/mol, XLogP of 4.18, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N'-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]butanediamide is sourced from PubChem (CID 3635114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).