2-[(4-chlorophenyl)methoxy]-N-[(2-chlorophenyl)methylideneamino]benzamide

C21H16Cl2N2O2 — CID 75087398

IUPAC2-[(4-chlorophenyl)methoxy]-N-[(2-chlorophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccccc1Cl)c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C21H16Cl2N2O2/c22-17-11-9-15(10-12-17)14-27-20-8-4-2-6-18(20)21(26)25-24-13-16-5-1-3-7-19(16)23/h1-13H,14H2,(H,25,26)
InChIKeyXNSFXLZQZKVCFD-UHFFFAOYSA-N
MW399.28 g/mol
LogP5.34
Rot. Bonds6

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

2-[(4-chlorophenyl)methoxy]-N-[(2-chlorophenyl)methylideneamino]benzamide (PubChem CID 75087398) has the molecular formula C21H16Cl2N2O2 and a molecular weight of 399.28 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-N-[(2-chlorophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-N-[(2-chlorophenyl)methylideneamino]benzamide
PubChem CID75087398
Molecular FormulaC21H16Cl2N2O2
Molecular Weight399.28 g/mol
Exact Mass398.06
IUPAC Name2-[(4-chlorophenyl)methoxy]-N-[(2-chlorophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccccc1Cl)c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C21H16Cl2N2O2/c22-17-11-9-15(10-12-17)14-27-20-8-4-2-6-18(20)21(26)25-24-13-16-5-1-3-7-19(16)23/h1-13H,14H2,(H,25,26)
InChIKeyXNSFXLZQZKVCFD-UHFFFAOYSA-N
XLogP5.34
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.28
LogP ≤ 55.34
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

2-[(4-bromophenyl)methoxy]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 97413810
2-[(4-bromophenyl)methoxy]-N-[(2,4-dichlorophenyl)methylideneamino]benzamide
CID 71960142
[4-[(E)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 51060610
2-[(4-chlorophenyl)methoxy]-N-(thiophen-2-ylmethylideneamino)benzamide
CID 75087531
2-[(4-chlorophenyl)methoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6901788
2-[(4-chlorophenyl)methoxy]-N-[(4-oxochromen-3-yl)methylideneamino]benzamide
CID 91944962
2-[(4-chlorophenyl)methoxy]-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 136503674
2-[(2-chlorophenyl)methoxy]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135833052
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657919
2-(4-chlorophenyl)-N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 21379839
4-[(4-chlorophenyl)methoxy]-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6051853
[4-[(E)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 51060148

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-N-[(2-chlorophenyl)methylideneamino]benzamide?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-N-[(2-chlorophenyl)methylideneamino]benzamide (CID 75087398) is 2-[(4-chlorophenyl)methoxy]-N-[(2-chlorophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-N-[(2-chlorophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-N-[(2-chlorophenyl)methylideneamino]benzamide is O=C(NN=Cc1ccccc1Cl)c1ccccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-N-[(2-chlorophenyl)methylideneamino]benzamide?
The InChIKey is XNSFXLZQZKVCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O2/c22-17-11-9-15(10-12-17)14-27-20-8-4-2-6-18(20)21(26)25-24-13-16-5-1-3-7-19(16)23/h1-13H,14H2,(H,25,26).
What are the key properties of 2-[(4-chlorophenyl)methoxy]-N-[(2-chlorophenyl)methylideneamino]benzamide?
2-[(4-chlorophenyl)methoxy]-N-[(2-chlorophenyl)methylideneamino]benzamide has a molecular weight of 399.28 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]-N-[(2-chlorophenyl)methylideneamino]benzamide is sourced from PubChem (CID 75087398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).