N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-phenylbutanamide

C24H23ClN2O2 — CID 171131950

IUPACN-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NN=Cc1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C24H23ClN2O2/c25-23-11-5-4-10-21(23)18-29-22-15-13-20(14-16-22)17-26-27-24(28)12-6-9-19-7-2-1-3-8-19/h1-5,7-8,10-11,13-17H,6,9,12,18H2,(H,27,28)
InChIKeyWZMHAGVUCJGWLI-UHFFFAOYSA-N
MW406.91 g/mol
LogP5.39
Rot. Bonds9

About N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-phenylbutanamide

N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-phenylbutanamide (PubChem CID 171131950) has the molecular formula C24H23ClN2O2 and a molecular weight of 406.91 g/mol. Its IUPAC name is N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-phenylbutanamide
PubChem CID171131950
Molecular FormulaC24H23ClN2O2
Molecular Weight406.91 g/mol
Exact Mass406.14
IUPAC NameN-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NN=Cc1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C24H23ClN2O2/c25-23-11-5-4-10-21(23)18-29-22-15-13-20(14-16-22)17-26-27-24(28)12-6-9-19-7-2-1-3-8-19/h1-5,7-8,10-11,13-17H,6,9,12,18H2,(H,27,28)
InChIKeyWZMHAGVUCJGWLI-UHFFFAOYSA-N
XLogP5.39
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.91
LogP ≤ 55.39
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-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxyacetamide
CID 6293738
N-(4-chlorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pentanediamide
CID 6871476
N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3730577
N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 19189842
2-(2-bromophenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19189856
N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-ethylphenoxy)acetamide
CID 19182567
N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 3315682
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 71950723
tert-butyl N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]carbamate
CID 6883331
N-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide
CID 3861652
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide
CID 6302563
4-bromo-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 91972519

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-phenylbutanamide?
The IUPAC name of N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-phenylbutanamide (CID 171131950) is N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-phenylbutanamide.
What is the SMILES notation for N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-phenylbutanamide?
The canonical SMILES for N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-phenylbutanamide is O=C(CCCc1ccccc1)NN=Cc1ccc(OCc2ccccc2Cl)cc1.
What is the InChIKey of N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-phenylbutanamide?
The InChIKey is WZMHAGVUCJGWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O2/c25-23-11-5-4-10-21(23)18-29-22-15-13-20(14-16-22)17-26-27-24(28)12-6-9-19-7-2-1-3-8-19/h1-5,7-8,10-11,13-17H,6,9,12,18H2,(H,27,28).
What are the key properties of N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-phenylbutanamide?
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-phenylbutanamide has a molecular weight of 406.91 g/mol, XLogP of 5.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-phenylbutanamide is sourced from PubChem (CID 171131950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).