N-(2-chlorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide

C17H16ClN3O3 — CID 3591287

IUPACN-(2-chlorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1ccccc1Cl)NN=Cc1ccc(O)cc1
InChIInChI=1S/C17H16ClN3O3/c18-14-3-1-2-4-15(14)20-16(23)9-10-17(24)21-19-11-12-5-7-13(22)8-6-12/h1-8,11,22H,9-10H2,(H,20,23)(H,21,24)
InChIKeyMXERFUJKRTZONQ-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.91
Rot. Bonds6

About N-(2-chlorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide

N-(2-chlorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide (PubChem CID 3591287) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide
PubChem CID3591287
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC NameN-(2-chlorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1ccccc1Cl)NN=Cc1ccc(O)cc1
InChIInChI=1S/C17H16ClN3O3/c18-14-3-1-2-4-15(14)20-16(23)9-10-17(24)21-19-11-12-5-7-13(22)8-6-12/h1-8,11,22H,9-10H2,(H,20,23)(H,21,24)
InChIKeyMXERFUJKRTZONQ-UHFFFAOYSA-N
XLogP2.91
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-(2-fluorophenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]butanediamide
CID 135704400
N,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide
CID 136704221
N-(2-chlorophenyl)-N'-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]butanediamide
CID 136670499
N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 135788644
N-(2-chlorophenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide
CID 4633351
N-(2-chlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]propanediamide
CID 3974770
N'-(1,3-benzodioxol-5-ylmethylideneamino)-N-(2-chlorophenyl)butanediamide
CID 5258607
N-(2-chlorophenyl)-N'-[(3-methoxy-4-methylphenyl)methylideneamino]butanediamide
CID 3707643
N-[(Z)-benzylideneamino]-2-(2-chloroanilino)acetamide
CID 5427716
N-(2-chlorophenyl)-N'-[(4-methyl-3-nitrophenyl)methylideneamino]butanediamide
CID 4679765
N-(2-chlorophenyl)-N'-[(3-ethoxyphenyl)methylideneamino]butanediamide
CID 4022136
N-(2-bromophenyl)-N'-[(E)-(3,4-dichlorophenyl)methylideneamino]butanediamide
CID 171980633

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide?
The IUPAC name of N-(2-chlorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide (CID 3591287) is N-(2-chlorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-(2-chlorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide?
The canonical SMILES for N-(2-chlorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide is O=C(CCC(=O)Nc1ccccc1Cl)NN=Cc1ccc(O)cc1.
What is the InChIKey of N-(2-chlorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide?
The InChIKey is MXERFUJKRTZONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c18-14-3-1-2-4-15(14)20-16(23)9-10-17(24)21-19-11-12-5-7-13(22)8-6-12/h1-8,11,22H,9-10H2,(H,20,23)(H,21,24).
What are the key properties of N-(2-chlorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide?
N-(2-chlorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide has a molecular weight of 345.79 g/mol, XLogP of 2.91, 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'-[(4-hydroxyphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 3591287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).