N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide

C16H14Cl2N2O3 — CID 135854177

IUPACN-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide
SMILESO=C(CCc1ccc(O)cc1)N/N=C\c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C16H14Cl2N2O3/c17-12-7-11(16(23)14(18)8-12)9-19-20-15(22)6-3-10-1-4-13(21)5-2-10/h1-2,4-5,7-9,21,23H,3,6H2,(H,20,22)/b19-9-
InChIKeyOCBCUXQSEPNPKI-OCKHKDLRSA-N
MW353.21 g/mol
LogP3.49
Rot. Bonds5

About N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide

N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide (PubChem CID 135854177) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide
PubChem CID135854177
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC NameN-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide
SMILESO=C(CCc1ccc(O)cc1)N/N=C\c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C16H14Cl2N2O3/c17-12-7-11(16(23)14(18)8-12)9-19-20-15(22)6-3-10-1-4-13(21)5-2-10/h1-2,4-5,7-9,21,23H,3,6H2,(H,20,22)/b19-9-
InChIKeyOCBCUXQSEPNPKI-OCKHKDLRSA-N
XLogP3.49
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide (CID 135854177) is N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide is O=C(CCc1ccc(O)cc1)N/N=C\c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide?
The InChIKey is OCBCUXQSEPNPKI-OCKHKDLRSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c17-12-7-11(16(23)14(18)8-12)9-19-20-15(22)6-3-10-1-4-13(21)5-2-10/h1-2,4-5,7-9,21,23H,3,6H2,(H,20,22)/b19-9-.
What are the key properties of N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide?
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide has a molecular weight of 353.21 g/mol, XLogP of 3.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 135854177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).