2-(4-chlorophenyl)-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide

C16H15ClN2O2 — CID 135531708

IUPAC2-(4-chlorophenyl)-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide
SMILESCc1ccc(O)c(/C=N/NC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClN2O2/c1-11-2-7-15(20)13(8-11)10-18-19-16(21)9-12-3-5-14(17)6-4-12/h2-8,10,20H,9H2,1H3,(H,19,21)/b18-10+
InChIKeyDODPAVZXQRAXJO-VCHYOVAHSA-N
MW302.76 g/mol
LogP3.05
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide

2-(4-chlorophenyl)-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide (PubChem CID 135531708) 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-5-methylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide
PubChem CID135531708
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name2-(4-chlorophenyl)-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide
SMILESCc1ccc(O)c(/C=N/NC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClN2O2/c1-11-2-7-15(20)13(8-11)10-18-19-16(21)9-12-3-5-14(17)6-4-12/h2-8,10,20H,9H2,1H3,(H,19,21)/b18-10+
InChIKeyDODPAVZXQRAXJO-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

4-chloro-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide
CID 135497917
2-(4-chlorophenyl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 5334783
(4-Chloro-phenyl)-acetic acid [1-(2-hydroxy-phenyl)-ethylidene]-hydrazide
CID 135531709
(4-Chloro-phenyl)-acetic acid (2-hydroxy-3-methyl-benzylidene)-hydrazide
CID 135531710
(4-Chloro-phenyl)-acetic acid (2-hydroxy-4-methyl-benzylidene)-hydrazide
CID 135531711
3-chloro-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135478386
N'-(4-chlorobenzylidene)-4-hydroxybenzohydrazide
CID 5338000
4-Chloro-N'-(2,4-dihydroxybenzylidene)benzohydrazide
CID 135403186
3-[2-(4-chlorobenzylidene)hydrazino]-N-[2-(4-hydroxyphenyl)-1,1-dimethylethyl]-3-oxopropanamide
CID 5348529
2-(4-chlorophenyl)-N'-[4-methoxy-3-(methoxymethyl)benzylidene]acetohydrazide
CID 5412053
4-chloro-N'-[(Z)-(2-hydroxy-3-methylphenyl)methylidene]benzohydrazide
CID 135455144
N'-[(E)-(2-hydroxy-5-methylphenyl)methylidene]benzohydrazide
CID 135406892

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide (CID 135531708) is 2-(4-chlorophenyl)-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide is Cc1ccc(O)c(/C=N/NC(=O)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide?
The InChIKey is DODPAVZXQRAXJO-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-11-2-7-15(20)13(8-11)10-18-19-16(21)9-12-3-5-14(17)6-4-12/h2-8,10,20H,9H2,1H3,(H,19,21)/b18-10+.
What are the key properties of 2-(4-chlorophenyl)-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide?
2-(4-chlorophenyl)-N-[(E)-(2-hydroxy-5-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-5-methylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135531708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).