N-[4-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]phenyl]propanamide

C23H20Cl2N2O2 — CID 4660053

IUPACN-[4-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H20Cl2N2O2/c1-2-23(28)27-20-11-9-19(10-12-20)26-14-16-5-3-4-6-22(16)29-15-17-7-8-18(24)13-21(17)25/h3-14H,2,15H2,1H3,(H,27,28)/b26-14+
InChIKeyBADJJXSCUWUNNW-VULFUBBASA-N
MW427.33 g/mol
LogP6.67
Rot. Bonds7

About N-[4-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]phenyl]propanamide

N-[4-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]phenyl]propanamide (PubChem CID 4660053) has the molecular formula C23H20Cl2N2O2 and a molecular weight of 427.33 g/mol. Its IUPAC name is N-[4-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]phenyl]propanamide
PubChem CID4660053
Molecular FormulaC23H20Cl2N2O2
Molecular Weight427.33 g/mol
Exact Mass426.09
IUPAC NameN-[4-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H20Cl2N2O2/c1-2-23(28)27-20-11-9-19(10-12-20)26-14-16-5-3-4-6-22(16)29-15-17-7-8-18(24)13-21(17)25/h3-14H,2,15H2,1H3,(H,27,28)/b26-14+
InChIKeyBADJJXSCUWUNNW-VULFUBBASA-N
XLogP6.67
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.33
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 21379840
N-[4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenyl]propanamide
CID 5098400
N-(2-chlorophenyl)-N'-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]butanediamide
CID 5025171
N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 99944528
2-(4-bromoanilino)-N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126349752
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126221091
N-[4-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]phenyl]propanamide
CID 4054098
2-bromo-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17245231
N'-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)propanediamide
CID 4215625
2,4-dichloro-N-[1-[2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3483297
2-[(5E)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 126338935
2-[(5Z)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-iodophenyl)acetamide
CID 126265549

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]phenyl]propanamide?
The IUPAC name of N-[4-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]phenyl]propanamide (CID 4660053) is N-[4-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]phenyl]propanamide.
What is the SMILES notation for N-[4-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]phenyl]propanamide?
The canonical SMILES for N-[4-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]phenyl]propanamide is CCC(=O)Nc1ccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[4-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]phenyl]propanamide?
The InChIKey is BADJJXSCUWUNNW-VULFUBBASA-N. The full InChI is InChI=1S/C23H20Cl2N2O2/c1-2-23(28)27-20-11-9-19(10-12-20)26-14-16-5-3-4-6-22(16)29-15-17-7-8-18(24)13-21(17)25/h3-14H,2,15H2,1H3,(H,27,28)/b26-14+.
What are the key properties of N-[4-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]phenyl]propanamide?
N-[4-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]phenyl]propanamide has a molecular weight of 427.33 g/mol, XLogP of 6.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]phenyl]propanamide is sourced from PubChem (CID 4660053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).