N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)propanediamide

C24H21Cl2N3O4 — CID 3656998

IUPACN'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)propanediamide
SMILESCOc1ccc(NC(=O)CC(=O)NN=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C24H21Cl2N3O4/c1-32-21-8-6-20(7-9-21)28-23(30)13-24(31)29-27-14-17-12-19(26)5-10-22(17)33-15-16-3-2-4-18(25)11-16/h2-12,14H,13,15H2,1H3,(H,28,30)(H,29,31)
InChIKeyPBVIPXXRPFQPAL-UHFFFAOYSA-N
MW486.36 g/mol
LogP5.06
Rot. Bonds9

About N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)propanediamide

N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)propanediamide (PubChem CID 3656998) has the molecular formula C24H21Cl2N3O4 and a molecular weight of 486.36 g/mol. Its IUPAC name is N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)propanediamide.

Molecular Properties

Compound NameN'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)propanediamide
PubChem CID3656998
Molecular FormulaC24H21Cl2N3O4
Molecular Weight486.36 g/mol
Exact Mass485.09
IUPAC NameN'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)propanediamide
SMILESCOc1ccc(NC(=O)CC(=O)NN=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C24H21Cl2N3O4/c1-32-21-8-6-20(7-9-21)28-23(30)13-24(31)29-27-14-17-12-19(26)5-10-22(17)33-15-16-3-2-4-18(25)11-16/h2-12,14H,13,15H2,1H3,(H,28,30)(H,29,31)
InChIKeyPBVIPXXRPFQPAL-UHFFFAOYSA-N
XLogP5.06
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.36
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-phenylpropanediamide
CID 3274983
N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3903944
N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylphenyl)propanediamide
CID 3323945
N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 4300034
N-(2-bromophenyl)-N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]propanediamide
CID 3294440
N-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 3913512
N'-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 135821656
N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 3589426
N-[1-[2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide
CID 5114873
N'-[[5-chloro-2-[(4-cyanophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 4561715
N-[[5-chloro-2-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 3999806
(E)-3-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
CID 124646631

Frequently Asked Questions

What is the IUPAC name of N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)propanediamide?
The IUPAC name of N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)propanediamide (CID 3656998) is N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)propanediamide.
What is the SMILES notation for N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)propanediamide?
The canonical SMILES for N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)propanediamide is COc1ccc(NC(=O)CC(=O)NN=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1.
What is the InChIKey of N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)propanediamide?
The InChIKey is PBVIPXXRPFQPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N3O4/c1-32-21-8-6-20(7-9-21)28-23(30)13-24(31)29-27-14-17-12-19(26)5-10-22(17)33-15-16-3-2-4-18(25)11-16/h2-12,14H,13,15H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)propanediamide?
N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)propanediamide has a molecular weight of 486.36 g/mol, XLogP of 5.06, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)propanediamide is sourced from PubChem (CID 3656998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).