N-(3,4-dichlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide

C16H13Cl2N3O3 — CID 136773637

IUPACN-(3,4-dichlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide
SMILESO=C(CC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C\c1ccc(O)cc1
InChIInChI=1S/C16H13Cl2N3O3/c17-13-6-3-11(7-14(13)18)20-15(23)8-16(24)21-19-9-10-1-4-12(22)5-2-10/h1-7,9,22H,8H2,(H,20,23)(H,21,24)/b19-9-
InChIKeyKUVJQGXJIDUGRO-OCKHKDLRSA-N
MW366.20 g/mol
LogP3.18
Rot. Bonds5

About N-(3,4-dichlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide

N-(3,4-dichlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide (PubChem CID 136773637) has the molecular formula C16H13Cl2N3O3 and a molecular weight of 366.20 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide
PubChem CID136773637
Molecular FormulaC16H13Cl2N3O3
Molecular Weight366.20 g/mol
Exact Mass365.03
IUPAC NameN-(3,4-dichlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide
SMILESO=C(CC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C\c1ccc(O)cc1
InChIInChI=1S/C16H13Cl2N3O3/c17-13-6-3-11(7-14(13)18)20-15(23)8-16(24)21-19-9-10-1-4-12(22)5-2-10/h1-7,9,22H,8H2,(H,20,23)(H,21,24)/b19-9-
InChIKeyKUVJQGXJIDUGRO-OCKHKDLRSA-N
XLogP3.18
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methylphenyl)-N'-[(4-hydroxyphenyl)methylideneamino]propanediamide
CID 3943298
N-(3,4-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide
CID 4571509
N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide
CID 135479503
N-(3,4-dichlorophenyl)-N'-[(Z)-(4-ethoxyphenyl)methylideneamino]propanediamide
CID 5440770
N-(3,4-dichlorophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 135419540
N-(3,4-dichlorophenyl)-N'-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]propanediamide
CID 171979471
N-(3,4-dichlorophenyl)-N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide
CID 6297265
N'-[(4-butoxy-3-ethoxyphenyl)methylideneamino]-N-(3,4-dichlorophenyl)propanediamide
CID 4242153
2-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 136884201
N-(3-chlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide
CID 689612
N'-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)pentanediamide
CID 126170329
N-(3,4-dichlorophenyl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 135716686

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide (CID 136773637) is N-(3,4-dichlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide is O=C(CC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C\c1ccc(O)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide?
The InChIKey is KUVJQGXJIDUGRO-OCKHKDLRSA-N. The full InChI is InChI=1S/C16H13Cl2N3O3/c17-13-6-3-11(7-14(13)18)20-15(23)8-16(24)21-19-9-10-1-4-12(22)5-2-10/h1-7,9,22H,8H2,(H,20,23)(H,21,24)/b19-9-.
What are the key properties of N-(3,4-dichlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide?
N-(3,4-dichlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide has a molecular weight of 366.20 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide is sourced from PubChem (CID 136773637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).