N-(2,4-dichlorophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]butanediamide

C19H20Cl2N4O2 — CID 5229962

IUPACN-(2,4-dichlorophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]butanediamide
SMILESCN(C)c1ccc(C=NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H20Cl2N4O2/c1-25(2)15-6-3-13(4-7-15)12-22-24-19(27)10-9-18(26)23-17-8-5-14(20)11-16(17)21/h3-8,11-12H,9-10H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyASGXLGWJLQMFOY-UHFFFAOYSA-N
MW407.30 g/mol
LogP3.93
Rot. Bonds7

About N-(2,4-dichlorophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]butanediamide

N-(2,4-dichlorophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]butanediamide (PubChem CID 5229962) has the molecular formula C19H20Cl2N4O2 and a molecular weight of 407.30 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]butanediamide
PubChem CID5229962
Molecular FormulaC19H20Cl2N4O2
Molecular Weight407.30 g/mol
Exact Mass406.10
IUPAC NameN-(2,4-dichlorophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]butanediamide
SMILESCN(C)c1ccc(C=NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H20Cl2N4O2/c1-25(2)15-6-3-13(4-7-15)12-22-24-19(27)10-9-18(26)23-17-8-5-14(20)11-16(17)21/h3-8,11-12H,9-10H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyASGXLGWJLQMFOY-UHFFFAOYSA-N
XLogP3.93
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]butanediamide
CID 3280899
4-(2,4-dichlorophenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]butanamide
CID 6067365
N'-(1,3-benzodioxol-5-ylmethylideneamino)-N-(2,4-dichlorophenyl)butanediamide
CID 5230716
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide
CID 92856210
N-(2,4-dichlorophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanediamide
CID 135560328
N-(4-acetamidophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide
CID 171981399
2-(2,5-dichlorophenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 1283615
N'-[(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)butanediamide
CID 3944050
N-(2,4-dichlorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]butanediamide
CID 6875689
N-(2,4-dichlorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide
CID 5230712
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide
CID 22613567
N-(3-chlorophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]butanediamide
CID 6161963

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]butanediamide?
The IUPAC name of N-(2,4-dichlorophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]butanediamide (CID 5229962) is N-(2,4-dichlorophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]butanediamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]butanediamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]butanediamide is CN(C)c1ccc(C=NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]butanediamide?
The InChIKey is ASGXLGWJLQMFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O2/c1-25(2)15-6-3-13(4-7-15)12-22-24-19(27)10-9-18(26)23-17-8-5-14(20)11-16(17)21/h3-8,11-12H,9-10H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-(2,4-dichlorophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]butanediamide?
N-(2,4-dichlorophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]butanediamide has a molecular weight of 407.30 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]butanediamide is sourced from PubChem (CID 5229962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).