N-(2,4-dichlorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]butanediamide

C15H13Cl2N3O2S — CID 6875689

IUPACN-(2,4-dichlorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1ccc(Cl)cc1Cl)N/N=C/c1cccs1
InChIInChI=1S/C15H13Cl2N3O2S/c16-10-3-4-13(12(17)8-10)19-14(21)5-6-15(22)20-18-9-11-2-1-7-23-11/h1-4,7-9H,5-6H2,(H,19,21)(H,20,22)/b18-9+
InChIKeyQUXNFMZQFKFLHP-GIJQJNRQSA-N
MW370.26 g/mol
LogP3.92
Rot. Bonds6

About N-(2,4-dichlorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]butanediamide

N-(2,4-dichlorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]butanediamide (PubChem CID 6875689) has the molecular formula C15H13Cl2N3O2S and a molecular weight of 370.26 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]butanediamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]butanediamide
PubChem CID6875689
Molecular FormulaC15H13Cl2N3O2S
Molecular Weight370.26 g/mol
Exact Mass369.01
IUPAC NameN-(2,4-dichlorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1ccc(Cl)cc1Cl)N/N=C/c1cccs1
InChIInChI=1S/C15H13Cl2N3O2S/c16-10-3-4-13(12(17)8-10)19-14(21)5-6-15(22)20-18-9-11-2-1-7-23-11/h1-4,7-9H,5-6H2,(H,19,21)(H,20,22)/b18-9+
InChIKeyQUXNFMZQFKFLHP-GIJQJNRQSA-N
XLogP3.92
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 53.92
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-(2,4-dichlorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide
CID 5230712
N-(2,4-dichlorophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]butanediamide
CID 5229962
N-[(E)-thiophen-2-ylmethylideneamino]octanamide
CID 6894116
3-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide
CID 5414238
N-(thiophen-2-ylmethylideneamino)undecanamide
CID 2164157
N-(thiophen-2-ylmethylideneamino)octadecanamide
CID 75087356
N'-(1,3-benzodioxol-5-ylmethylideneamino)-N-(2,4-dichlorophenyl)butanediamide
CID 5230716
2-(2-chloro-6-fluorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 25237585
N-(2,4-dichlorophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanediamide
CID 135560328
3-chloro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 691642
methyl 4-(2,4-dichloroanilino)-4-oxobutanoate
CID 823383
N-(2,4-dichlorophenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]butanediamide
CID 135560331

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]butanediamide?
The IUPAC name of N-(2,4-dichlorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]butanediamide (CID 6875689) is N-(2,4-dichlorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]butanediamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]butanediamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]butanediamide is O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)N/N=C/c1cccs1.
What is the InChIKey of N-(2,4-dichlorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]butanediamide?
The InChIKey is QUXNFMZQFKFLHP-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2S/c16-10-3-4-13(12(17)8-10)19-14(21)5-6-15(22)20-18-9-11-2-1-7-23-11/h1-4,7-9H,5-6H2,(H,19,21)(H,20,22)/b18-9+.
What are the key properties of N-(2,4-dichlorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]butanediamide?
N-(2,4-dichlorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]butanediamide has a molecular weight of 370.26 g/mol, XLogP of 3.92, 6 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'-[(E)-thiophen-2-ylmethylideneamino]butanediamide is sourced from PubChem (CID 6875689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).