4-tert-butyl-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide

C18H18Cl2N2O2 — CID 135445519

IUPAC4-tert-butyl-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide
SMILESCC(C)(C)c1ccc(C(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-18(2,3)13-6-4-11(5-7-13)17(24)22-21-10-12-8-14(19)9-15(20)16(12)23/h4-10,23H,1-3H3,(H,22,24)/b21-10+
InChIKeyRKNGGARTXFDLGZ-UFFVCSGVSA-N
MW365.26 g/mol
LogP4.76
Rot. Bonds3

About 4-tert-butyl-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide

4-tert-butyl-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 135445519) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 4-tert-butyl-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID135445519
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name4-tert-butyl-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide
SMILESCC(C)(C)c1ccc(C(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-18(2,3)13-6-4-11(5-7-13)17(24)22-21-10-12-8-14(19)9-15(20)16(12)23/h4-10,23H,1-3H3,(H,22,24)/b21-10+
InChIKeyRKNGGARTXFDLGZ-UFFVCSGVSA-N
XLogP4.76
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-tert-butyl-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-tert-butyl-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide (CID 135445519) is 4-tert-butyl-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide is CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)cc1.
What is the InChIKey of 4-tert-butyl-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is RKNGGARTXFDLGZ-UFFVCSGVSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-18(2,3)13-6-4-11(5-7-13)17(24)22-21-10-12-8-14(19)9-15(20)16(12)23/h4-10,23H,1-3H3,(H,22,24)/b21-10+.
What are the key properties of 4-tert-butyl-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide?
4-tert-butyl-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 365.26 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135445519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).