(2S)-N-(4-chlorophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxypropanamide

C17H17ClN2O2 — CID 7670513

IUPAC(2S)-N-(4-chlorophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxypropanamide
SMILESCc1ccccc1/C=N\O[C@@H](C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O2/c1-12-5-3-4-6-14(12)11-19-22-13(2)17(21)20-16-9-7-15(18)8-10-16/h3-11,13H,1-2H3,(H,20,21)/b19-11-/t13-/m0/s1
InChIKeyCAXCLVGVKHGKJV-JFENUBAZSA-N
MW316.79 g/mol
LogP4.03
Rot. Bonds5

About (2S)-N-(4-chlorophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxypropanamide

(2S)-N-(4-chlorophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxypropanamide (PubChem CID 7670513) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is (2S)-N-(4-chlorophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxypropanamide.

Molecular Properties

Compound Name(2S)-N-(4-chlorophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxypropanamide
PubChem CID7670513
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name(2S)-N-(4-chlorophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxypropanamide
SMILESCc1ccccc1/C=N\O[C@@H](C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O2/c1-12-5-3-4-6-14(12)11-19-22-13(2)17(21)20-16-9-7-15(18)8-10-16/h3-11,13H,1-2H3,(H,20,21)/b19-11-/t13-/m0/s1
InChIKeyCAXCLVGVKHGKJV-JFENUBAZSA-N
XLogP4.03
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 54.03
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

(2S)-2-[(Z)-(2-methylphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7670510
(2R)-N-(2,4-dichlorophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxypropanamide
CID 7670287
(2S)-2-[(Z)-benzylideneamino]oxy-N-phenylpropanamide
CID 7644163
(2R)-N-(4-chlorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide
CID 7670002
(2S)-N-(2,4-dichlorophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxypropanamide
CID 7703391
(2R)-N-(2,4-dichlorophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxypropanamide
CID 7703394
(2R)-N-(4-chlorophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxypropanamide
CID 7700436
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxypropanamide
CID 7703583
2-acetamido-N-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enamide
CID 4929239
(1-anilino-1-oxopropan-2-yl) 3-(4-chlorophenyl)prop-2-enoate
CID 4092648
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(2-formylphenoxy)acetate
CID 8609162
N-[(4-chlorophenyl)methyl]-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670051

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chlorophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxypropanamide?
The IUPAC name of (2S)-N-(4-chlorophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxypropanamide (CID 7670513) is (2S)-N-(4-chlorophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxypropanamide.
What is the SMILES notation for (2S)-N-(4-chlorophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxypropanamide?
The canonical SMILES for (2S)-N-(4-chlorophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxypropanamide is Cc1ccccc1/C=N\O[C@@H](C)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (2S)-N-(4-chlorophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxypropanamide?
The InChIKey is CAXCLVGVKHGKJV-JFENUBAZSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-12-5-3-4-6-14(12)11-19-22-13(2)17(21)20-16-9-7-15(18)8-10-16/h3-11,13H,1-2H3,(H,20,21)/b19-11-/t13-/m0/s1.
What are the key properties of (2S)-N-(4-chlorophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxypropanamide?
(2S)-N-(4-chlorophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxypropanamide has a molecular weight of 316.79 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-chlorophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxypropanamide is sourced from PubChem (CID 7670513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).