4-[(4-chlorophenyl)methoxy]-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]benzamide

C28H24ClN3O2 — CID 6307220

IUPAC4-[(4-chlorophenyl)methoxy]-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]benzamide
SMILESCN(c1ccccc1)c1ccc(/C=N\NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C28H24ClN3O2/c1-32(25-5-3-2-4-6-25)26-15-9-21(10-16-26)19-30-31-28(33)23-11-17-27(18-12-23)34-20-22-7-13-24(29)14-8-22/h2-19H,20H2,1H3,(H,31,33)/b30-19-
InChIKeySKEPMYAFFUMTHK-FSGOGVSDSA-N
MW469.97 g/mol
LogP6.45
Rot. Bonds8

About 4-[(4-chlorophenyl)methoxy]-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]benzamide

4-[(4-chlorophenyl)methoxy]-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]benzamide (PubChem CID 6307220) has the molecular formula C28H24ClN3O2 and a molecular weight of 469.97 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]benzamide
PubChem CID6307220
Molecular FormulaC28H24ClN3O2
Molecular Weight469.97 g/mol
Exact Mass469.16
IUPAC Name4-[(4-chlorophenyl)methoxy]-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]benzamide
SMILESCN(c1ccccc1)c1ccc(/C=N\NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C28H24ClN3O2/c1-32(25-5-3-2-4-6-25)26-15-9-21(10-16-26)19-30-31-28(33)23-11-17-27(18-12-23)34-20-22-7-13-24(29)14-8-22/h2-19H,20H2,1H3,(H,31,33)/b30-19-
InChIKeySKEPMYAFFUMTHK-FSGOGVSDSA-N
XLogP6.45
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.97
LogP ≤ 56.45
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

4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6046963
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 4932922
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 6234024
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-chlorobenzamide
CID 21379709
[4-[[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzenesulfonate
CID 3395646
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913
N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932926
4-methoxy-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzamide
CID 1039675
4-[(4-chlorophenyl)methoxy]-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 51061006
4-[(4-chlorophenyl)methoxy]-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3585979

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]benzamide?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]benzamide (CID 6307220) is 4-[(4-chlorophenyl)methoxy]-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]benzamide is CN(c1ccccc1)c1ccc(/C=N\NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]benzamide?
The InChIKey is SKEPMYAFFUMTHK-FSGOGVSDSA-N. The full InChI is InChI=1S/C28H24ClN3O2/c1-32(25-5-3-2-4-6-25)26-15-9-21(10-16-26)19-30-31-28(33)23-11-17-27(18-12-23)34-20-22-7-13-24(29)14-8-22/h2-19H,20H2,1H3,(H,31,33)/b30-19-.
What are the key properties of 4-[(4-chlorophenyl)methoxy]-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]benzamide?
4-[(4-chlorophenyl)methoxy]-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]benzamide has a molecular weight of 469.97 g/mol, XLogP of 6.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 6307220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).