4-chloro-2-[N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol

C16H14Cl2N2O2 — CID 3406457

IUPAC4-chloro-2-[N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol
SMILESCC(=NN=C(C)c1cc(Cl)ccc1O)c1cc(Cl)ccc1O
InChIInChI=1S/C16H14Cl2N2O2/c1-9(13-7-11(17)3-5-15(13)21)19-20-10(2)14-8-12(18)4-6-16(14)22/h3-8,21-22H,1-2H3
InChIKeyNXRQFPUBDRLZNI-UHFFFAOYSA-N
MW337.21 g/mol
LogP4.64
Rot. Bonds3

About 4-chloro-2-[N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol

4-chloro-2-[N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol (PubChem CID 3406457) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is 4-chloro-2-[N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol
PubChem CID3406457
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name4-chloro-2-[N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol
SMILESCC(=NN=C(C)c1cc(Cl)ccc1O)c1cc(Cl)ccc1O
InChIInChI=1S/C16H14Cl2N2O2/c1-9(13-7-11(17)3-5-15(13)21)19-20-10(2)14-8-12(18)4-6-16(14)22/h3-8,21-22H,1-2H3
InChIKeyNXRQFPUBDRLZNI-UHFFFAOYSA-N
XLogP4.64
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 54.64
H-Bond Donors ≤ 52
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 4-chloro-2-[N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol?
The IUPAC name of 4-chloro-2-[N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol (CID 3406457) is 4-chloro-2-[N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 4-chloro-2-[N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 4-chloro-2-[N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol is CC(=NN=C(C)c1cc(Cl)ccc1O)c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol?
The InChIKey is NXRQFPUBDRLZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c1-9(13-7-11(17)3-5-15(13)21)19-20-10(2)14-8-12(18)4-6-16(14)22/h3-8,21-22H,1-2H3.
What are the key properties of 4-chloro-2-[N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol?
4-chloro-2-[N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol has a molecular weight of 337.21 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 3406457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).