N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide

C22H19ClN2O2 — CID 4081735

IUPACN-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)NN=Cc2cccc(OCc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C22H19ClN2O2/c1-16-5-9-19(10-6-16)22(26)25-24-14-18-3-2-4-21(13-18)27-15-17-7-11-20(23)12-8-17/h2-14H,15H2,1H3,(H,25,26)
InChIKeyZTKJXLRSSVKUAE-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.99
Rot. Bonds6

About N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide

N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide (PubChem CID 4081735) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide
PubChem CID4081735
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC NameN-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)NN=Cc2cccc(OCc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C22H19ClN2O2/c1-16-5-9-19(10-6-16)22(26)25-24-14-18-3-2-4-21(13-18)27-15-17-7-11-20(23)12-8-17/h2-14H,15H2,1H3,(H,25,26)
InChIKeyZTKJXLRSSVKUAE-UHFFFAOYSA-N
XLogP4.99
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.99
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

4-[(4-chlorophenyl)methoxy]-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3585979
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 6057561
methyl 4-[[3-[[(4-chlorobenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 3554770
3-hydroxy-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17126659
4-[(4-chlorophenyl)methoxy]-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 51061006
N'-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 3715481
4-chloro-N-[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110340733
[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 900224
[3-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 6260250
N-[(E)-(3-butoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 110340461
N-[2-[2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 4229832
4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6900167

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide?
The IUPAC name of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide (CID 4081735) is N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide.
What is the SMILES notation for N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide?
The canonical SMILES for N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide is Cc1ccc(C(=O)NN=Cc2cccc(OCc3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide?
The InChIKey is ZTKJXLRSSVKUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c1-16-5-9-19(10-6-16)22(26)25-24-14-18-3-2-4-21(13-18)27-15-17-7-11-20(23)12-8-17/h2-14H,15H2,1H3,(H,25,26).
What are the key properties of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide?
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide has a molecular weight of 378.86 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide is sourced from PubChem (CID 4081735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).