N-[4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenyl]propanamide

C24H23ClN2O3 — CID 5098400

IUPACN-[4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1
InChIInChI=1S/C24H23ClN2O3/c1-3-24(28)27-20-11-9-19(10-12-20)26-15-17-8-13-22(23(14-17)29-2)30-16-18-6-4-5-7-21(18)25/h4-15H,3,16H2,1-2H3,(H,27,28)/b26-15+
InChIKeyPLXKQCRMTIVCSQ-CVKSISIWSA-N
MW422.91 g/mol
LogP6.03
Rot. Bonds8

About N-[4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenyl]propanamide

N-[4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenyl]propanamide (PubChem CID 5098400) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is N-[4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenyl]propanamide
PubChem CID5098400
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC NameN-[4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1
InChIInChI=1S/C24H23ClN2O3/c1-3-24(28)27-20-11-9-19(10-12-20)26-15-17-8-13-22(23(14-17)29-2)30-16-18-6-4-5-7-21(18)25/h4-15H,3,16H2,1-2H3,(H,27,28)/b26-15+
InChIKeyPLXKQCRMTIVCSQ-CVKSISIWSA-N
XLogP6.03
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.91
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-acetamido-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 3918813
N'-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 4094540
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(4-ethylphenyl)acetamide
CID 126370963
N'-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(3,5-dichlorophenyl)oxamide
CID 3611008
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-cyanoacetamide
CID 5350121
2-chloro-5-[(2Z)-2-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 6145645
2-(4-bromoanilino)-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
CID 126358471
4-chloro-N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 19169715
N-[4-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]phenyl]propanamide
CID 4660053
[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
CID 900207
[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazine
CID 23944748
N'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide
CID 17201844

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenyl]propanamide?
The IUPAC name of N-[4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenyl]propanamide (CID 5098400) is N-[4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenyl]propanamide.
What is the SMILES notation for N-[4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenyl]propanamide?
The canonical SMILES for N-[4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenyl]propanamide is CCC(=O)Nc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1.
What is the InChIKey of N-[4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenyl]propanamide?
The InChIKey is PLXKQCRMTIVCSQ-CVKSISIWSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c1-3-24(28)27-20-11-9-19(10-12-20)26-15-17-8-13-22(23(14-17)29-2)30-16-18-6-4-5-7-21(18)25/h4-15H,3,16H2,1-2H3,(H,27,28)/b26-15+.
What are the key properties of N-[4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenyl]propanamide?
N-[4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenyl]propanamide has a molecular weight of 422.91 g/mol, XLogP of 6.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenyl]propanamide is sourced from PubChem (CID 5098400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).