(2R)-2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(3-chlorophenyl)propanamide

C18H18Cl2N2O4 — CID 7702876

IUPAC(2R)-2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(3-chlorophenyl)propanamide
SMILESCOc1cc(/C=N\O[C@H](C)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OC
InChIInChI=1S/C18H18Cl2N2O4/c1-11(18(23)22-14-6-4-5-13(19)9-14)26-21-10-12-7-15(20)17(25-3)16(8-12)24-2/h4-11H,1-3H3,(H,22,23)/b21-10-/t11-/m1/s1
InChIKeyJHVQXFQUJHNHLO-VARIZKOUSA-N
MW397.26 g/mol
LogP4.39
Rot. Bonds7

About (2R)-2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(3-chlorophenyl)propanamide

(2R)-2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(3-chlorophenyl)propanamide (PubChem CID 7702876) has the molecular formula C18H18Cl2N2O4 and a molecular weight of 397.26 g/mol. Its IUPAC name is (2R)-2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(3-chlorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(3-chlorophenyl)propanamide
PubChem CID7702876
Molecular FormulaC18H18Cl2N2O4
Molecular Weight397.26 g/mol
Exact Mass396.06
IUPAC Name(2R)-2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(3-chlorophenyl)propanamide
SMILESCOc1cc(/C=N\O[C@H](C)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OC
InChIInChI=1S/C18H18Cl2N2O4/c1-11(18(23)22-14-6-4-5-13(19)9-14)26-21-10-12-7-15(20)17(25-3)16(8-12)24-2/h4-11H,1-3H3,(H,22,23)/b21-10-/t11-/m1/s1
InChIKeyJHVQXFQUJHNHLO-VARIZKOUSA-N
XLogP4.39
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(4-fluorophenyl)propanamide
CID 7703063
2-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-[(2-chlorophenyl)methyl]propanamide
CID 24511825
(2S)-N-(3-chlorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxypropanamide
CID 7704553
N-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 716117
(2R)-N-(2-fluorophenyl)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxypropanamide
CID 7919078
1-(3-chlorophenyl)-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]urea
CID 19172582
N-(3,4-dimethoxyphenyl)-2-[(E)-(3,4-dimethoxyphenyl)methylideneamino]oxypropanamide
CID 24511843
N-[4-[[(E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-2-methylpropanamide
CID 26679759
(2R)-N-(4-chlorophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxypropanamide
CID 7700436
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[(Z)-(4-chlorophenyl)methylideneamino]oxypropanamide
CID 7701090
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[(Z)-(4-chlorophenyl)methylideneamino]oxypropanamide
CID 7701093
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxypropanamide
CID 7704145

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(3-chlorophenyl)propanamide?
The IUPAC name of (2R)-2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(3-chlorophenyl)propanamide (CID 7702876) is (2R)-2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(3-chlorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(3-chlorophenyl)propanamide?
The canonical SMILES for (2R)-2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(3-chlorophenyl)propanamide is COc1cc(/C=N\O[C@H](C)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OC.
What is the InChIKey of (2R)-2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(3-chlorophenyl)propanamide?
The InChIKey is JHVQXFQUJHNHLO-VARIZKOUSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4/c1-11(18(23)22-14-6-4-5-13(19)9-14)26-21-10-12-7-15(20)17(25-3)16(8-12)24-2/h4-11H,1-3H3,(H,22,23)/b21-10-/t11-/m1/s1.
What are the key properties of (2R)-2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(3-chlorophenyl)propanamide?
(2R)-2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(3-chlorophenyl)propanamide has a molecular weight of 397.26 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(3-chlorophenyl)propanamide is sourced from PubChem (CID 7702876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).