N-[(4-chlorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide

C18H19ClN2O2 — CID 922562

IUPACN-[(4-chlorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O2/c1-13(2)16-5-3-4-6-17(16)23-12-18(22)21-20-11-14-7-9-15(19)10-8-14/h3-11,13H,12H2,1-2H3,(H,21,22)
InChIKeyZNPWNOLIDSHOEA-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.99
Rot. Bonds6

About N-[(4-chlorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide

N-[(4-chlorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 922562) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID922562
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-[(4-chlorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O2/c1-13(2)16-5-3-4-6-17(16)23-12-18(22)21-20-11-14-7-9-15(19)10-8-14/h3-11,13H,12H2,1-2H3,(H,21,22)
InChIKeyZNPWNOLIDSHOEA-UHFFFAOYSA-N
XLogP3.99
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(4-ethoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 922539
N-(naphthalen-2-ylmethylideneamino)-2-(2-propan-2-ylphenoxy)acetamide
CID 922560
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 135603999
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(2,3-dichlorophenoxy)acetamide
CID 6174342
N-[(2-chloro-4-fluorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 4980769
2-(2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 922557
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(2-cyanophenoxy)acetamide
CID 5392514
N-[(2,3-difluorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 4924840
N-[(4-chlorophenyl)methylideneamino]-2-[2-[(4-chlorophenyl)sulfanylmethyl]phenoxy]acetamide
CID 2820754
N-[(4-chlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4119361
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 136914835
N-(benzylideneamino)-2-(2-ethoxyphenoxy)acetamide
CID 724075

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide (CID 922562) is N-[(4-chlorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide is CC(C)c1ccccc1OCC(=O)NN=Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is ZNPWNOLIDSHOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-13(2)16-5-3-4-6-17(16)23-12-18(22)21-20-11-14-7-9-15(19)10-8-14/h3-11,13H,12H2,1-2H3,(H,21,22).
What are the key properties of N-[(4-chlorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide?
N-[(4-chlorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 330.82 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 922562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).