4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide

C21H17ClN2O2 — CID 6117105

IUPAC4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H17ClN2O2/c22-19-10-8-18(9-11-19)21(25)24-23-14-16-6-12-20(13-7-16)26-15-17-4-2-1-3-5-17/h1-14H,15H2,(H,24,25)/b23-14-
InChIKeyWCUQGWCOYKIRSM-UCQKPKSFSA-N
MW364.83 g/mol
LogP4.68
Rot. Bonds6

About 4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide

4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide (PubChem CID 6117105) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
PubChem CID6117105
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC Name4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H17ClN2O2/c22-19-10-8-18(9-11-19)21(25)24-23-14-16-6-12-20(13-7-16)26-15-17-4-2-1-3-5-17/h1-14H,15H2,(H,24,25)/b23-14-
InChIKeyWCUQGWCOYKIRSM-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

N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6046963
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
4-[(4-chlorophenyl)methoxy]-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]benzamide
CID 6307220
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-chlorobenzamide
CID 21379709
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913
N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932926
[4-[[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzenesulfonate
CID 3395646
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658826
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6868906
[3-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 6260250
4-[(4-chlorophenyl)methoxy]-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 51061006
3,4-dichloro-N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 45055318

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide (CID 6117105) is 4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide is O=C(N/N=C\c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide?
The InChIKey is WCUQGWCOYKIRSM-UCQKPKSFSA-N. The full InChI is InChI=1S/C21H17ClN2O2/c22-19-10-8-18(9-11-19)21(25)24-23-14-16-6-12-20(13-7-16)26-15-17-4-2-1-3-5-17/h1-14H,15H2,(H,24,25)/b23-14-.
What are the key properties of 4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide?
4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)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 4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6117105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).