2-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide

C9H9ClN2O2 — CID 136884201

IUPAC2-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CCl)N/N=C\c1ccc(O)cc1
InChIInChI=1S/C9H9ClN2O2/c10-5-9(14)12-11-6-7-1-3-8(13)4-2-7/h1-4,6,13H,5H2,(H,12,14)/b11-6-
InChIKeyXKQNWXRCWADYCI-WDZFZDKYSA-N
MW212.64 g/mol
LogP1.08
Rot. Bonds3

About 2-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide

2-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 136884201) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide
PubChem CID136884201
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name2-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CCl)N/N=C\c1ccc(O)cc1
InChIInChI=1S/C9H9ClN2O2/c10-5-9(14)12-11-6-7-1-3-8(13)4-2-7/h1-4,6,13H,5H2,(H,12,14)/b11-6-
InChIKeyXKQNWXRCWADYCI-WDZFZDKYSA-N
XLogP1.08
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide
CID 136704221
4-hydroxy-N-[(Z)-(4-hydroxyphenyl)methylideneamino]butanamide
CID 136668789
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 110515666
1-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-[(E)-(4-hydroxyphenyl)methylideneamino]urea
CID 135408538
N-[(4-hydroxyphenyl)methylideneamino]pentanamide
CID 4590132
N'-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]octanediamide
CID 135883129
7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid
CID 135777450
2-(4-aminophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 136789368
N-(3-chloro-4-methylphenyl)-N'-[(4-hydroxyphenyl)methylideneamino]propanediamide
CID 3943298
N-(2-chlorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide
CID 3591287
N-(3,4-dichlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]propanediamide
CID 136773637
N-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968721

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide (CID 136884201) is 2-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide is O=C(CCl)N/N=C\c1ccc(O)cc1.
What is the InChIKey of 2-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is XKQNWXRCWADYCI-WDZFZDKYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c10-5-9(14)12-11-6-7-1-3-8(13)4-2-7/h1-4,6,13H,5H2,(H,12,14)/b11-6-.
What are the key properties of 2-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide?
2-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 212.64 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 136884201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).