4-chloro-N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-2-hydroxybenzamide

C14H15ClN2O2 — CID 5333818

IUPAC4-chloro-N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C/C1CC=CCC1)c1ccc(Cl)cc1O
InChIInChI=1S/C14H15ClN2O2/c15-11-6-7-12(13(18)8-11)14(19)17-16-9-10-4-2-1-3-5-10/h1-2,6-10,18H,3-5H2,(H,17,19)/b16-9+
InChIKeySTJNTZYDXZZCOO-CXUHLZMHSA-N
MW278.74 g/mol
LogP3.12
Rot. Bonds3

About 4-chloro-N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-2-hydroxybenzamide

4-chloro-N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-2-hydroxybenzamide (PubChem CID 5333818) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-chloro-N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-2-hydroxybenzamide
PubChem CID5333818
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name4-chloro-N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C/C1CC=CCC1)c1ccc(Cl)cc1O
InChIInChI=1S/C14H15ClN2O2/c15-11-6-7-12(13(18)8-11)14(19)17-16-9-10-4-2-1-3-5-10/h1-2,6-10,18H,3-5H2,(H,17,19)/b16-9+
InChIKeySTJNTZYDXZZCOO-CXUHLZMHSA-N
XLogP3.12
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-2-hydroxybenzamide?
The IUPAC name of 4-chloro-N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-2-hydroxybenzamide (CID 5333818) is 4-chloro-N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for 4-chloro-N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-2-hydroxybenzamide?
The canonical SMILES for 4-chloro-N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-2-hydroxybenzamide is O=C(N/N=C/C1CC=CCC1)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-2-hydroxybenzamide?
The InChIKey is STJNTZYDXZZCOO-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c15-11-6-7-12(13(18)8-11)14(19)17-16-9-10-4-2-1-3-5-10/h1-2,6-10,18H,3-5H2,(H,17,19)/b16-9+.
What are the key properties of 4-chloro-N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-2-hydroxybenzamide?
4-chloro-N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-2-hydroxybenzamide has a molecular weight of 278.74 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 5333818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).