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

C16H13Cl3N2O2 — CID 7701109

IUPAC(2R)-2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,5-dichlorophenyl)propanamide
SMILESC[C@@H](O/N=C\c1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H13Cl3N2O2/c1-10(23-20-9-11-2-4-12(17)5-3-11)16(22)21-15-8-13(18)6-7-14(15)19/h2-10H,1H3,(H,21,22)/b20-9-/t10-/m1/s1
InChIKeyNMCXQORFCYSDOR-ZHLXBYETSA-N
MW371.65 g/mol
LogP5.02
Rot. Bonds5

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

(2R)-2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,5-dichlorophenyl)propanamide (PubChem CID 7701109) has the molecular formula C16H13Cl3N2O2 and a molecular weight of 371.65 g/mol. Its IUPAC name is (2R)-2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,5-dichlorophenyl)propanamide
PubChem CID7701109
Molecular FormulaC16H13Cl3N2O2
Molecular Weight371.65 g/mol
Exact Mass370.00
IUPAC Name(2R)-2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,5-dichlorophenyl)propanamide
SMILESC[C@@H](O/N=C\c1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H13Cl3N2O2/c1-10(23-20-9-11-2-4-12(17)5-3-11)16(22)21-15-8-13(18)6-7-14(15)19/h2-10H,1H3,(H,21,22)/b20-9-/t10-/m1/s1
InChIKeyNMCXQORFCYSDOR-ZHLXBYETSA-N
XLogP5.02
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.65
LogP ≤ 55.02
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)-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
(2S)-N-(2,4-dichlorophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxypropanamide
CID 7705437
(2R)-N-(2,4-dichlorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxypropanamide
CID 7704558
(2R)-N-(4-chlorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide
CID 7670002
(2R)-N-(2,4-dichlorophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxypropanamide
CID 7703394
(2R)-N-(2,4-dichlorophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxypropanamide
CID 7670287
(2S)-N-(2,4-dichlorophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxypropanamide
CID 7703391
N-(3-chloro-4-fluorophenyl)-2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxypropanamide
CID 24511891
(2R)-2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(2,3,4-trifluorophenyl)propanamide
CID 7702302
(2R)-N-(2-chloro-4-fluorophenyl)-2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxypropanamide
CID 7662671
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] (E)-3-thiophen-3-ylprop-2-enoate
CID 55373299

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,5-dichlorophenyl)propanamide?
The IUPAC name of (2R)-2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,5-dichlorophenyl)propanamide (CID 7701109) is (2R)-2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,5-dichlorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,5-dichlorophenyl)propanamide?
The canonical SMILES for (2R)-2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,5-dichlorophenyl)propanamide is C[C@@H](O/N=C\c1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of (2R)-2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,5-dichlorophenyl)propanamide?
The InChIKey is NMCXQORFCYSDOR-ZHLXBYETSA-N. The full InChI is InChI=1S/C16H13Cl3N2O2/c1-10(23-20-9-11-2-4-12(17)5-3-11)16(22)21-15-8-13(18)6-7-14(15)19/h2-10H,1H3,(H,21,22)/b20-9-/t10-/m1/s1.
What are the key properties of (2R)-2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,5-dichlorophenyl)propanamide?
(2R)-2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,5-dichlorophenyl)propanamide has a molecular weight of 371.65 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,5-dichlorophenyl)propanamide is sourced from PubChem (CID 7701109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).