N,N'-bis(2,4-dichlorophenyl)-2-[[2-(dimethylamino)ethylamino]methylidene]propanediamide

C20H20Cl4N4O2 — CID 4640052

IUPACN,N'-bis(2,4-dichlorophenyl)-2-[[2-(dimethylamino)ethylamino]methylidene]propanediamide
SMILESCN(C)CCNC=C(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H20Cl4N4O2/c1-28(2)8-7-25-11-14(19(29)26-17-5-3-12(21)9-15(17)23)20(30)27-18-6-4-13(22)10-16(18)24/h3-6,9-11,25H,7-8H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyZUGMTXDCVONBCH-UHFFFAOYSA-N
MW490.22 g/mol
LogP4.91
Rot. Bonds8

About N,N'-bis(2,4-dichlorophenyl)-2-[[2-(dimethylamino)ethylamino]methylidene]propanediamide

N,N'-bis(2,4-dichlorophenyl)-2-[[2-(dimethylamino)ethylamino]methylidene]propanediamide (PubChem CID 4640052) has the molecular formula C20H20Cl4N4O2 and a molecular weight of 490.22 g/mol. Its IUPAC name is N,N'-bis(2,4-dichlorophenyl)-2-[[2-(dimethylamino)ethylamino]methylidene]propanediamide.

Molecular Properties

Compound NameN,N'-bis(2,4-dichlorophenyl)-2-[[2-(dimethylamino)ethylamino]methylidene]propanediamide
PubChem CID4640052
Molecular FormulaC20H20Cl4N4O2
Molecular Weight490.22 g/mol
Exact Mass488.03
IUPAC NameN,N'-bis(2,4-dichlorophenyl)-2-[[2-(dimethylamino)ethylamino]methylidene]propanediamide
SMILESCN(C)CCNC=C(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H20Cl4N4O2/c1-28(2)8-7-25-11-14(19(29)26-17-5-3-12(21)9-15(17)23)20(30)27-18-6-4-13(22)10-16(18)24/h3-6,9-11,25H,7-8H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyZUGMTXDCVONBCH-UHFFFAOYSA-N
XLogP4.91
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.22
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N,N'-bis(2,4-dichlorophenyl)-2-[[2-(dimethylamino)ethylamino]methylidene]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

1-allyl-N-(4-chlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 1486110
4-(2-chloroanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 127030120
4-(3-chloroanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 127030121
4-(4-chloroanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 127030122
2-acetyl-N-(2,4-dichlorophenyl)-3-(dimethylamino)acrylamide
CID 1480480
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-6-oxo-N-propyl-1H-pyridine-3-carboxamide
CID 16234535
N~1~,N~3~-bis(2,4-dichlorophenyl)malonamide
CID 3332858
N-(2,4-dichlorophenyl)-4-(4-phenylpiperazin-1-yl)butanamide
CID 25168966
(3E)-3-(butylaminomethylene)-7-chloro-5-phenyl-1H-1,5-benzodiazepine-2,4-dione
CID 53319968
N-(4-chlorophenyl)-2-hydroxynicotinamide
CID 53323386
Butyranilide, 2',4'-dichloro-3-(diethylamino)-
CID 58008
3-acetamido-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenyl-N-propylpropanamide
CID 24818271

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,4-dichlorophenyl)-2-[[2-(dimethylamino)ethylamino]methylidene]propanediamide?
The IUPAC name of N,N'-bis(2,4-dichlorophenyl)-2-[[2-(dimethylamino)ethylamino]methylidene]propanediamide (CID 4640052) is N,N'-bis(2,4-dichlorophenyl)-2-[[2-(dimethylamino)ethylamino]methylidene]propanediamide.
What is the SMILES notation for N,N'-bis(2,4-dichlorophenyl)-2-[[2-(dimethylamino)ethylamino]methylidene]propanediamide?
The canonical SMILES for N,N'-bis(2,4-dichlorophenyl)-2-[[2-(dimethylamino)ethylamino]methylidene]propanediamide is CN(C)CCNC=C(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N,N'-bis(2,4-dichlorophenyl)-2-[[2-(dimethylamino)ethylamino]methylidene]propanediamide?
The InChIKey is ZUGMTXDCVONBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl4N4O2/c1-28(2)8-7-25-11-14(19(29)26-17-5-3-12(21)9-15(17)23)20(30)27-18-6-4-13(22)10-16(18)24/h3-6,9-11,25H,7-8H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N,N'-bis(2,4-dichlorophenyl)-2-[[2-(dimethylamino)ethylamino]methylidene]propanediamide?
N,N'-bis(2,4-dichlorophenyl)-2-[[2-(dimethylamino)ethylamino]methylidene]propanediamide has a molecular weight of 490.22 g/mol, XLogP of 4.91, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,4-dichlorophenyl)-2-[[2-(dimethylamino)ethylamino]methylidene]propanediamide is sourced from PubChem (CID 4640052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).