2-(4-chlorophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide

C16H15ClN2O3 — CID 135722703

IUPAC2-(4-chlorophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C16H15ClN2O3/c1-11(22-15-8-4-13(17)5-9-15)16(21)19-18-10-12-2-6-14(20)7-3-12/h2-11,20H,1H3,(H,19,21)/b18-10+
InChIKeyQRERZNXMAUVQGT-VCHYOVAHSA-N
MW318.76 g/mol
LogP2.96
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide

2-(4-chlorophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide (PubChem CID 135722703) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
PubChem CID135722703
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name2-(4-chlorophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C16H15ClN2O3/c1-11(22-15-8-4-13(17)5-9-15)16(21)19-18-10-12-2-6-14(20)7-3-12/h2-11,20H,1H3,(H,19,21)/b18-10+
InChIKeyQRERZNXMAUVQGT-VCHYOVAHSA-N
XLogP2.96
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 2-(4-chlorophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide (CID 135722703) is 2-(4-chlorophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide is CC(Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(O)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide?
The InChIKey is QRERZNXMAUVQGT-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-11(22-15-8-4-13(17)5-9-15)16(21)19-18-10-12-2-6-14(20)7-3-12/h2-11,20H,1H3,(H,19,21)/b18-10+.
What are the key properties of 2-(4-chlorophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide?
2-(4-chlorophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide has a molecular weight of 318.76 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 135722703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).