N-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide

C18H18Cl2N2O3 — CID 110515613

IUPACN-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
SMILESCC(C)Oc1c(Cl)cc(/C=N\NC(=O)Cc2ccc(O)cc2)cc1Cl
InChIInChI=1S/C18H18Cl2N2O3/c1-11(2)25-18-15(19)7-13(8-16(18)20)10-21-22-17(24)9-12-3-5-14(23)6-4-12/h3-8,10-11,23H,9H2,1-2H3,(H,22,24)/b21-10-
InChIKeyJOLXLYRXLKRNDJ-FBHDLOMBSA-N
MW381.26 g/mol
LogP4.18
Rot. Bonds6

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

N-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide (PubChem CID 110515613) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is N-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
PubChem CID110515613
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC NameN-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
SMILESCC(C)Oc1c(Cl)cc(/C=N\NC(=O)Cc2ccc(O)cc2)cc1Cl
InChIInChI=1S/C18H18Cl2N2O3/c1-11(2)25-18-15(19)7-13(8-16(18)20)10-21-22-17(24)9-12-3-5-14(23)6-4-12/h3-8,10-11,23H,9H2,1-2H3,(H,22,24)/b21-10-
InChIKeyJOLXLYRXLKRNDJ-FBHDLOMBSA-N
XLogP4.18
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(3,5-dichloro-4-hydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 136789440
2-(4-hydroxyphenyl)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 110515550
N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 136789438
2-(4-hydroxyphenyl)-N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 110515650
N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 110515329
N-[(Z)-(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 110515446
N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110507236
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 110515666
1-(4-chlorophenyl)-3-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]urea
CID 110532392
N-[(E)-[4-[(2R)-butan-2-yl]oxy-3-chloro-5-ethoxyphenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126247020
[(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]thiourea
CID 168535319
N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 136789428

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide (CID 110515613) is N-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide is CC(C)Oc1c(Cl)cc(/C=N\NC(=O)Cc2ccc(O)cc2)cc1Cl.
What is the InChIKey of N-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide?
The InChIKey is JOLXLYRXLKRNDJ-FBHDLOMBSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c1-11(2)25-18-15(19)7-13(8-16(18)20)10-21-22-17(24)9-12-3-5-14(23)6-4-12/h3-8,10-11,23H,9H2,1-2H3,(H,22,24)/b21-10-.
What are the key properties of N-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide?
N-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 381.26 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 110515613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).