2-[(2,3-dichlorophenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide

C24H20Cl2N2O4 — CID 16554527

IUPAC2-[(2,3-dichlorophenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide
SMILESCOc1ccccc1NC(=O)C(=Cc1cccc(Cl)c1Cl)C(=O)Nc1ccccc1OC
InChIInChI=1S/C24H20Cl2N2O4/c1-31-20-12-5-3-10-18(20)27-23(29)16(14-15-8-7-9-17(25)22(15)26)24(30)28-19-11-4-6-13-21(19)32-2/h3-14H,1-2H3,(H,27,29)(H,28,30)
InChIKeyOFBKNRSVXHRRDF-UHFFFAOYSA-N
MW471.34 g/mol
LogP5.67
Rot. Bonds7

About 2-[(2,3-dichlorophenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide

2-[(2,3-dichlorophenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide (PubChem CID 16554527) has the molecular formula C24H20Cl2N2O4 and a molecular weight of 471.34 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide
PubChem CID16554527
Molecular FormulaC24H20Cl2N2O4
Molecular Weight471.34 g/mol
Exact Mass470.08
IUPAC Name2-[(2,3-dichlorophenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide
SMILESCOc1ccccc1NC(=O)C(=Cc1cccc(Cl)c1Cl)C(=O)Nc1ccccc1OC
InChIInChI=1S/C24H20Cl2N2O4/c1-31-20-12-5-3-10-18(20)27-23(29)16(14-15-8-7-9-17(25)22(15)26)24(30)28-19-11-4-6-13-21(19)32-2/h3-14H,1-2H3,(H,27,29)(H,28,30)
InChIKeyOFBKNRSVXHRRDF-UHFFFAOYSA-N
XLogP5.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.34
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 2-[(2,3-dichlorophenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis(2-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]methylidene]propanediamide
CID 2369819
N,N'-bis(2-methoxyphenyl)-2-[(4-propan-2-ylphenyl)methylidene]propanediamide
CID 2445487
2-[(2,5-dimethoxyphenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide
CID 2436196
N-(3-chloro-2-methylphenyl)-N'-(2-methoxyphenyl)oxamide
CID 45000336
(Z)-3-(2-chlorophenyl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
CID 2688789
2,6-dichloro-N-(2-methoxyphenyl)benzamide
CID 853872
(2S)-2-(2,3-dichlorophenoxy)-N-(2-methoxyphenyl)propanamide
CID 7372354
2-chloro-N-(2-chlorophenyl)-3-methoxybenzamide
CID 45051392
(E)-2-cyano-N,3-bis(2-methoxyphenyl)prop-2-enamide
CID 2713805
2,3-dichloro-N-(2-methoxyphenyl)aniline
CID 82537063
N-(2-chlorophenyl)-N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 136739203
(Z)-3-(3-chloro-2-methylanilino)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
CID 108820917

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide?
The IUPAC name of 2-[(2,3-dichlorophenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide (CID 16554527) is 2-[(2,3-dichlorophenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide?
The canonical SMILES for 2-[(2,3-dichlorophenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide is COc1ccccc1NC(=O)C(=Cc1cccc(Cl)c1Cl)C(=O)Nc1ccccc1OC.
What is the InChIKey of 2-[(2,3-dichlorophenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide?
The InChIKey is OFBKNRSVXHRRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2O4/c1-31-20-12-5-3-10-18(20)27-23(29)16(14-15-8-7-9-17(25)22(15)26)24(30)28-19-11-4-6-13-21(19)32-2/h3-14H,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 2-[(2,3-dichlorophenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide?
2-[(2,3-dichlorophenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide has a molecular weight of 471.34 g/mol, XLogP of 5.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide is sourced from PubChem (CID 16554527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).