3-(4-chlorophenyl)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide

C16H15ClN2O3 — CID 137037317

IUPAC3-(4-chlorophenyl)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide
SMILESO=C(CCc1ccc(Cl)cc1)N/N=C\c1ccc(O)cc1O
InChIInChI=1S/C16H15ClN2O3/c17-13-5-1-11(2-6-13)3-8-16(22)19-18-10-12-4-7-14(20)9-15(12)21/h1-2,4-7,9-10,20-21H,3,8H2,(H,19,22)/b18-10-
InChIKeyKBXMNPGYFOEMMA-ZDLGFXPLSA-N
MW318.76 g/mol
LogP2.83
Rot. Bonds5

About 3-(4-chlorophenyl)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide

3-(4-chlorophenyl)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide (PubChem CID 137037317) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide
PubChem CID137037317
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name3-(4-chlorophenyl)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide
SMILESO=C(CCc1ccc(Cl)cc1)N/N=C\c1ccc(O)cc1O
InChIInChI=1S/C16H15ClN2O3/c17-13-5-1-11(2-6-13)3-8-16(22)19-18-10-12-4-7-14(20)9-15(12)21/h1-2,4-7,9-10,20-21H,3,8H2,(H,19,22)/b18-10-
InChIKeyKBXMNPGYFOEMMA-ZDLGFXPLSA-N
XLogP2.83
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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 3-(4-chlorophenyl)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide (CID 137037317) is 3-(4-chlorophenyl)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide is O=C(CCc1ccc(Cl)cc1)N/N=C\c1ccc(O)cc1O.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide?
The InChIKey is KBXMNPGYFOEMMA-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c17-13-5-1-11(2-6-13)3-8-16(22)19-18-10-12-4-7-14(20)9-15(12)21/h1-2,4-7,9-10,20-21H,3,8H2,(H,19,22)/b18-10-.
What are the key properties of 3-(4-chlorophenyl)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide?
3-(4-chlorophenyl)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide has a molecular weight of 318.76 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 137037317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).