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

C17H16Cl2N2O2 — CID 7705437

IUPAC(2S)-N-(2,4-dichlorophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxypropanamide
SMILESCc1ccc(/C=N\O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-11-3-5-13(6-4-11)10-20-23-12(2)17(22)21-16-8-7-14(18)9-15(16)19/h3-10,12H,1-2H3,(H,21,22)/b20-10-/t12-/m0/s1
InChIKeyVBTQRBXTPLSYMS-XGTDKWECSA-N
MW351.23 g/mol
LogP4.68
Rot. Bonds5

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

(2S)-N-(2,4-dichlorophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxypropanamide (PubChem CID 7705437) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is (2S)-N-(2,4-dichlorophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxypropanamide.

Molecular Properties

Compound Name(2S)-N-(2,4-dichlorophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxypropanamide
PubChem CID7705437
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name(2S)-N-(2,4-dichlorophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxypropanamide
SMILESCc1ccc(/C=N\O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-11-3-5-13(6-4-11)10-20-23-12(2)17(22)21-16-8-7-14(18)9-15(16)19/h3-10,12H,1-2H3,(H,21,22)/b20-10-/t12-/m0/s1
InChIKeyVBTQRBXTPLSYMS-XGTDKWECSA-N
XLogP4.68
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.68
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

(2R)-2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,5-dichlorophenyl)propanamide
CID 7701109
(2R)-N-(2,4-dichlorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxypropanamide
CID 7704558
(2R)-N-(2,4-dichlorophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxypropanamide
CID 7670287
(2R)-N-(2,4-dichlorophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxypropanamide
CID 7703394
(2S)-N-(2,4-dichlorophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxypropanamide
CID 7703391
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[(Z)-(4-chlorophenyl)methylideneamino]oxypropanamide
CID 7701093
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[(Z)-(4-chlorophenyl)methylideneamino]oxypropanamide
CID 7701090
(2R)-N-(2-chloro-4-fluorophenyl)-2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxypropanamide
CID 7662671
[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate
CID 46827079
[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate
CID 7852841
(2R)-2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(2,3,4-trifluorophenyl)propanamide
CID 7702302
[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] (E)-but-2-enoate
CID 7981052

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,4-dichlorophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxypropanamide?
The IUPAC name of (2S)-N-(2,4-dichlorophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxypropanamide (CID 7705437) is (2S)-N-(2,4-dichlorophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxypropanamide.
What is the SMILES notation for (2S)-N-(2,4-dichlorophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxypropanamide?
The canonical SMILES for (2S)-N-(2,4-dichlorophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxypropanamide is Cc1ccc(/C=N\O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (2S)-N-(2,4-dichlorophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxypropanamide?
The InChIKey is VBTQRBXTPLSYMS-XGTDKWECSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-11-3-5-13(6-4-11)10-20-23-12(2)17(22)21-16-8-7-14(18)9-15(16)19/h3-10,12H,1-2H3,(H,21,22)/b20-10-/t12-/m0/s1.
What are the key properties of (2S)-N-(2,4-dichlorophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxypropanamide?
(2S)-N-(2,4-dichlorophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxypropanamide has a molecular weight of 351.23 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,4-dichlorophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxypropanamide is sourced from PubChem (CID 7705437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).