2-(4-chlorophenyl)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide

C16H15ClN2O2 — CID 135531710

IUPAC2-(4-chlorophenyl)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide
SMILESCc1cccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c1O
InChIInChI=1S/C16H15ClN2O2/c1-11-3-2-4-13(16(11)21)10-18-19-15(20)9-12-5-7-14(17)8-6-12/h2-8,10,21H,9H2,1H3,(H,19,20)/b18-10+
InChIKeyAATQCXWHTKSDAE-VCHYOVAHSA-N
MW302.76 g/mol
LogP3.05
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide

2-(4-chlorophenyl)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide (PubChem CID 135531710) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide
PubChem CID135531710
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name2-(4-chlorophenyl)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide
SMILESCc1cccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c1O
InChIInChI=1S/C16H15ClN2O2/c1-11-3-2-4-13(16(11)21)10-18-19-15(20)9-12-5-7-14(17)8-6-12/h2-8,10,21H,9H2,1H3,(H,19,20)/b18-10+
InChIKeyAATQCXWHTKSDAE-VCHYOVAHSA-N
XLogP3.05
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2-(4-chlorophenyl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 5334783
(4-Chloro-phenyl)-acetic acid (2-hydroxy-5-methyl-benzylidene)-hydrazide
CID 135531708
(4-Chloro-phenyl)-acetic acid [1-(2-hydroxy-phenyl)-ethylidene]-hydrazide
CID 135531709
(4-Chloro-phenyl)-acetic acid (2-hydroxy-4-methyl-benzylidene)-hydrazide
CID 135531711
3-chloro-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135478386
2-(4-chlorophenyl)-N'-[4-methoxy-3-(methoxymethyl)benzylidene]acetohydrazide
CID 5412053
4-chloro-N'-[(Z)-(2-hydroxy-3-methylphenyl)methylidene]benzohydrazide
CID 135455144
4-chloro-N'-[(1E)-1-(2-hydroxyphenyl)ethylidene]benzohydrazide
CID 135445577
2-Hydroxy-5-methyl-benzaldehyde 4-chloro-benzoyl hydrazone
CID 135688213
4-Chloro-N'-(4-hydroxybenzylidene)benzohydrazide
CID 135603902
N'-(4-chlorobenzylidene)-2-hydroxybenzohydrazide
CID 6893040
N'-[(E)-(2-hydroxyphenyl)methylidene]-3-phenylpropanehydrazide
CID 135419539

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide (CID 135531710) is 2-(4-chlorophenyl)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide is Cc1cccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c1O.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide?
The InChIKey is AATQCXWHTKSDAE-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-11-3-2-4-13(16(11)21)10-18-19-15(20)9-12-5-7-14(17)8-6-12/h2-8,10,21H,9H2,1H3,(H,19,20)/b18-10+.
What are the key properties of 2-(4-chlorophenyl)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide?
2-(4-chlorophenyl)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide has a molecular weight of 302.76 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135531710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).