4-chloro-N-[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide

C21H15Cl3N2O2 — CID 110340733

IUPAC4-chloro-N-[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H15Cl3N2O2/c22-16-9-7-15(8-10-16)21(27)26-25-12-14-3-1-4-17(11-14)28-13-18-19(23)5-2-6-20(18)24/h1-12H,13H2,(H,26,27)/b25-12+
InChIKeyHVRQOWHXCLDNKM-BRJLIKDPSA-N
MW433.72 g/mol
LogP5.99
Rot. Bonds6

About 4-chloro-N-[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide

4-chloro-N-[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide (PubChem CID 110340733) has the molecular formula C21H15Cl3N2O2 and a molecular weight of 433.72 g/mol. Its IUPAC name is 4-chloro-N-[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
PubChem CID110340733
Molecular FormulaC21H15Cl3N2O2
Molecular Weight433.72 g/mol
Exact Mass432.02
IUPAC Name4-chloro-N-[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H15Cl3N2O2/c22-16-9-7-15(8-10-16)21(27)26-25-12-14-3-1-4-17(11-14)28-13-18-19(23)5-2-6-20(18)24/h1-12H,13H2,(H,26,27)/b25-12+
InChIKeyHVRQOWHXCLDNKM-BRJLIKDPSA-N
XLogP5.99
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.72
LogP ≤ 55.99
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
4-chloro-N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126195239
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 4081735
[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 110340726
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 6057561
4-chloro-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 94847929
methyl 4-[[3-[[(4-chlorobenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 3554770
N-[(E)-(3-butoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 110340461
4-amino-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 9034423
4-[(4-chlorophenyl)methoxy]-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 51061006
[3-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 6260250
N-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzamide
CID 96881597

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide (CID 110340733) is 4-chloro-N-[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide is O=C(N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The InChIKey is HVRQOWHXCLDNKM-BRJLIKDPSA-N. The full InChI is InChI=1S/C21H15Cl3N2O2/c22-16-9-7-15(8-10-16)21(27)26-25-12-14-3-1-4-17(11-14)28-13-18-19(23)5-2-6-20(18)24/h1-12H,13H2,(H,26,27)/b25-12+.
What are the key properties of 4-chloro-N-[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
4-chloro-N-[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide has a molecular weight of 433.72 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 110340733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).