N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide

C23H21ClN2O4 — CID 4684451

IUPACN-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NN=Cc2ccccc2OCc2cccc(Cl)c2)c(OC)c1
InChIInChI=1S/C23H21ClN2O4/c1-28-19-10-11-20(22(13-19)29-2)23(27)26-25-14-17-7-3-4-9-21(17)30-15-16-6-5-8-18(24)12-16/h3-14H,15H2,1-2H3,(H,26,27)
InChIKeyRZNADVSZUJYROW-UHFFFAOYSA-N
MW424.88 g/mol
LogP4.70
Rot. Bonds8

About N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide

N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide (PubChem CID 4684451) has the molecular formula C23H21ClN2O4 and a molecular weight of 424.88 g/mol. Its IUPAC name is N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide
PubChem CID4684451
Molecular FormulaC23H21ClN2O4
Molecular Weight424.88 g/mol
Exact Mass424.12
IUPAC NameN-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NN=Cc2ccccc2OCc2cccc(Cl)c2)c(OC)c1
InChIInChI=1S/C23H21ClN2O4/c1-28-19-10-11-20(22(13-19)29-2)23(27)26-25-14-17-7-3-4-9-21(17)30-15-16-6-5-8-18(24)12-16/h3-14H,15H2,1-2H3,(H,26,27)
InChIKeyRZNADVSZUJYROW-UHFFFAOYSA-N
XLogP4.70
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.88
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126394512
2,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4562741
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6272851
2-ethoxy-N-[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6028587
2,4-dimethoxy-N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6071759
3-methoxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6070681
2,4-dichloro-N-[(E)-[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110339606
4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 124541270
N-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 3913512
N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126396352
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6113425
3-acetamido-N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3974283

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide?
The IUPAC name of N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide (CID 4684451) is N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide is COc1ccc(C(=O)NN=Cc2ccccc2OCc2cccc(Cl)c2)c(OC)c1.
What is the InChIKey of N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide?
The InChIKey is RZNADVSZUJYROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O4/c1-28-19-10-11-20(22(13-19)29-2)23(27)26-25-14-17-7-3-4-9-21(17)30-15-16-6-5-8-18(24)12-16/h3-14H,15H2,1-2H3,(H,26,27).
What are the key properties of N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide?
N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide has a molecular weight of 424.88 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide is sourced from PubChem (CID 4684451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).