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

C21H17ClN2O2 — CID 6046963

IUPACN-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1
InChIInChI=1S/C21H17ClN2O2/c22-19-10-6-17(7-11-19)15-26-20-12-8-16(9-13-20)14-23-24-21(25)18-4-2-1-3-5-18/h1-14H,15H2,(H,24,25)/b23-14-
InChIKeyAOFHPDFXIWYHBF-UCQKPKSFSA-N
MW364.83 g/mol
LogP4.68
Rot. Bonds6

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

N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide (PubChem CID 6046963) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
PubChem CID6046963
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC NameN-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1
InChIInChI=1S/C21H17ClN2O2/c22-19-10-6-17(7-11-19)15-26-20-12-8-16(9-13-20)14-23-24-21(25)18-4-2-1-3-5-18/h1-14H,15H2,(H,24,25)/b23-14-
InChIKeyAOFHPDFXIWYHBF-UCQKPKSFSA-N
XLogP4.68
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 54.68
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-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105
4-[(4-chlorophenyl)methoxy]-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]benzamide
CID 6307220
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 573095
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)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-fluorobenzamide
CID 6089080
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
3,4-dichloro-N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 45055318
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
2-[4-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8518057
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 5437477

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The IUPAC name of N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide (CID 6046963) is N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide is O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1.
What is the InChIKey of N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The InChIKey is AOFHPDFXIWYHBF-UCQKPKSFSA-N. The full InChI is InChI=1S/C21H17ClN2O2/c22-19-10-6-17(7-11-19)15-26-20-12-8-16(9-13-20)14-23-24-21(25)18-4-2-1-3-5-18/h1-14H,15H2,(H,24,25)/b23-14-.
What are the key properties of N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide has a molecular weight of 364.83 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 6046963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).