N-(2-chlorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]butanediamide

C18H18ClN3O3 — CID 135418705

IUPACN-(2-chlorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]butanediamide
SMILESC/C(=N\NC(=O)CCC(=O)Nc1ccccc1Cl)c1ccccc1O
InChIInChI=1S/C18H18ClN3O3/c1-12(13-6-2-5-9-16(13)23)21-22-18(25)11-10-17(24)20-15-8-4-3-7-14(15)19/h2-9,23H,10-11H2,1H3,(H,20,24)(H,22,25)/b21-12+
InChIKeyVPHYQUAOKKEYBF-CIAFOILYSA-N
MW359.81 g/mol
LogP3.30
Rot. Bonds6

About N-(2-chlorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]butanediamide

N-(2-chlorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]butanediamide (PubChem CID 135418705) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]butanediamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]butanediamide
PubChem CID135418705
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC NameN-(2-chlorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]butanediamide
SMILESC/C(=N\NC(=O)CCC(=O)Nc1ccccc1Cl)c1ccccc1O
InChIInChI=1S/C18H18ClN3O3/c1-12(13-6-2-5-9-16(13)23)21-22-18(25)11-10-17(24)20-15-8-4-3-7-14(15)19/h2-9,23H,10-11H2,1H3,(H,20,24)(H,22,25)/b21-12+
InChIKeyVPHYQUAOKKEYBF-CIAFOILYSA-N
XLogP3.30
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-chlorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]butanediamide 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'-[1-(4-aminophenyl)ethylideneamino]-N-(2-chlorophenyl)butanediamide
CID 3419515
N-(2-chlorophenyl)-N'-(3,3-dimethylbutan-2-ylideneamino)butanediamide
CID 4307619
N-(2-chlorophenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide
CID 5254130
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
2-(4-chlorophenyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 135531709
N-[1-(2-hydroxyphenyl)ethylideneamino]decanamide
CID 3656120
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]octanamide
CID 135458893
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4155811
4-(2,4-dichlorophenoxy)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide
CID 136737987
N-(2-chlorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide
CID 3591287
N'-[1-(4-chlorophenyl)ethylideneamino]-N-(2,4-dichlorophenyl)butanediamide
CID 4659589
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]butanediamide?
The IUPAC name of N-(2-chlorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]butanediamide (CID 135418705) is N-(2-chlorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]butanediamide.
What is the SMILES notation for N-(2-chlorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]butanediamide?
The canonical SMILES for N-(2-chlorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]butanediamide is C/C(=N\NC(=O)CCC(=O)Nc1ccccc1Cl)c1ccccc1O.
What is the InChIKey of N-(2-chlorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]butanediamide?
The InChIKey is VPHYQUAOKKEYBF-CIAFOILYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-12(13-6-2-5-9-16(13)23)21-22-18(25)11-10-17(24)20-15-8-4-3-7-14(15)19/h2-9,23H,10-11H2,1H3,(H,20,24)(H,22,25)/b21-12+.
What are the key properties of N-(2-chlorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]butanediamide?
N-(2-chlorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]butanediamide has a molecular weight of 359.81 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]butanediamide is sourced from PubChem (CID 135418705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).