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

C16H14ClN3O3 — CID 135479503

IUPACN-(3-chlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide
SMILESO=C(CC(=O)Nc1cccc(Cl)c1)N/N=C\c1ccc(O)cc1
InChIInChI=1S/C16H14ClN3O3/c17-12-2-1-3-13(8-12)19-15(22)9-16(23)20-18-10-11-4-6-14(21)7-5-11/h1-8,10,21H,9H2,(H,19,22)(H,20,23)/b18-10-
InChIKeyGVWIMFWDUSYRJX-ZDLGFXPLSA-N
MW331.76 g/mol
LogP2.52
Rot. Bonds5

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

N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide (PubChem CID 135479503) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide
PubChem CID135479503
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC NameN-(3-chlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide
SMILESO=C(CC(=O)Nc1cccc(Cl)c1)N/N=C\c1ccc(O)cc1
InChIInChI=1S/C16H14ClN3O3/c17-12-2-1-3-13(8-12)19-15(22)9-16(23)20-18-10-11-4-6-14(21)7-5-11/h1-8,10,21H,9H2,(H,19,22)(H,20,23)/b18-10-
InChIKeyGVWIMFWDUSYRJX-ZDLGFXPLSA-N
XLogP2.52
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 52.52
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-chlorophenyl)-N'-[(4-methylphenyl)methylideneamino]propanediamide
CID 689612
N-(3-chlorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]oxamide
CID 4245956
N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 136884193
N-(3,4-dichlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide
CID 136773637
N-(3-chlorophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]butanediamide
CID 6161963
N-(3-chloro-4-methylphenyl)-N'-[(4-hydroxyphenyl)methylideneamino]propanediamide
CID 3943298
N'-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-(3-chlorophenyl)propanediamide
CID 92864199
N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide
CID 3386676
N-(3-chlorophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]butanediamide
CID 3280899
N-(3-chlorophenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
CID 3336715
2-(3-chloroanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135719968
N'-[(Z)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(3-chlorophenyl)propanediamide
CID 171979469

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide?
The IUPAC name of N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide (CID 135479503) is N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide.
What is the SMILES notation for N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide?
The canonical SMILES for N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide is O=C(CC(=O)Nc1cccc(Cl)c1)N/N=C\c1ccc(O)cc1.
What is the InChIKey of N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide?
The InChIKey is GVWIMFWDUSYRJX-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H14ClN3O3/c17-12-2-1-3-13(8-12)19-15(22)9-16(23)20-18-10-11-4-6-14(21)7-5-11/h1-8,10,21H,9H2,(H,19,22)(H,20,23)/b18-10-.
What are the key properties of N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide?
N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide has a molecular weight of 331.76 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide is sourced from PubChem (CID 135479503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).