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

C24H21Cl2N3O3 — CID 4663988

IUPACN-(3-chloro-4-methylphenyl)-N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]propanediamide
SMILESCc1ccc(NC(=O)CC(=O)NN=Cc2ccccc2OCc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C24H21Cl2N3O3/c1-16-6-11-20(12-21(16)26)28-23(30)13-24(31)29-27-14-18-4-2-3-5-22(18)32-15-17-7-9-19(25)10-8-17/h2-12,14H,13,15H2,1H3,(H,28,30)(H,29,31)
InChIKeyBDFURCNUKTWZQN-UHFFFAOYSA-N
MW470.36 g/mol
LogP5.36
Rot. Bonds8

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

N-(3-chloro-4-methylphenyl)-N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]propanediamide (PubChem CID 4663988) has the molecular formula C24H21Cl2N3O3 and a molecular weight of 470.36 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]propanediamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]propanediamide
PubChem CID4663988
Molecular FormulaC24H21Cl2N3O3
Molecular Weight470.36 g/mol
Exact Mass469.10
IUPAC NameN-(3-chloro-4-methylphenyl)-N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]propanediamide
SMILESCc1ccc(NC(=O)CC(=O)NN=Cc2ccccc2OCc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C24H21Cl2N3O3/c1-16-6-11-20(12-21(16)26)28-23(30)13-24(31)29-27-14-18-4-2-3-5-22(18)32-15-17-7-9-19(25)10-8-17/h2-12,14H,13,15H2,1H3,(H,28,30)(H,29,31)
InChIKeyBDFURCNUKTWZQN-UHFFFAOYSA-N
XLogP5.36
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.36
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-chloro-4-methylphenyl)-N'-[(2-prop-2-enoxyphenyl)methylideneamino]propanediamide
CID 3959543
N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3903944
N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 4311932
N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)propanediamide
CID 5029498
N-(3-chloro-4-methylphenyl)-N'-[(2-chlorophenyl)methylideneamino]propanediamide
CID 3421527
2-(4-chlorophenyl)-N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 21379839
N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-phenylbutanediamide
CID 4009755
3-chloro-4-methyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126060693
N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)propanediamide
CID 4669698
N-(2-chlorophenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 3569452
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-phenylpropanamide
CID 3543860
N-(3-chloro-4-methylphenyl)-N'-[(5-chloro-2-propan-2-yloxyphenyl)methylideneamino]propanediamide
CID 4008012

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]propanediamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]propanediamide (CID 4663988) is N-(3-chloro-4-methylphenyl)-N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]propanediamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]propanediamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]propanediamide is Cc1ccc(NC(=O)CC(=O)NN=Cc2ccccc2OCc2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]propanediamide?
The InChIKey is BDFURCNUKTWZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N3O3/c1-16-6-11-20(12-21(16)26)28-23(30)13-24(31)29-27-14-18-4-2-3-5-22(18)32-15-17-7-9-19(25)10-8-17/h2-12,14H,13,15H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N-(3-chloro-4-methylphenyl)-N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]propanediamide?
N-(3-chloro-4-methylphenyl)-N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]propanediamide has a molecular weight of 470.36 g/mol, XLogP of 5.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]propanediamide is sourced from PubChem (CID 4663988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).