(2R)-2-(4-cyanophenoxy)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]propanamide

C17H13Cl2N3O2 — CID 5433222

IUPAC(2R)-2-(4-cyanophenoxy)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]propanamide
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)N/N=C\c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H13Cl2N3O2/c1-11(24-14-5-2-12(9-20)3-6-14)17(23)22-21-10-13-4-7-15(18)16(19)8-13/h2-8,10-11H,1H3,(H,22,23)/b21-10-/t11-/m1/s1
InChIKeyQRKLTBIOUJIKMZ-VARIZKOUSA-N
MW362.22 g/mol
LogP3.78
Rot. Bonds5

About (2R)-2-(4-cyanophenoxy)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]propanamide

(2R)-2-(4-cyanophenoxy)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]propanamide (PubChem CID 5433222) has the molecular formula C17H13Cl2N3O2 and a molecular weight of 362.22 g/mol. Its IUPAC name is (2R)-2-(4-cyanophenoxy)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-cyanophenoxy)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]propanamide
PubChem CID5433222
Molecular FormulaC17H13Cl2N3O2
Molecular Weight362.22 g/mol
Exact Mass361.04
IUPAC Name(2R)-2-(4-cyanophenoxy)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]propanamide
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)N/N=C\c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H13Cl2N3O2/c1-11(24-14-5-2-12(9-20)3-6-14)17(23)22-21-10-13-4-7-15(18)16(19)8-13/h2-8,10-11H,1H3,(H,22,23)/b21-10-/t11-/m1/s1
InChIKeyQRKLTBIOUJIKMZ-VARIZKOUSA-N
XLogP3.78
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(4-cyanophenoxy)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]propanamide
CID 6265900
2-(4-cyanophenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide
CID 18231327
(2R)-2-(4-cyanophenoxy)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]propanamide
CID 5454917
(2S)-2-(4-cyanophenoxy)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]propanamide
CID 5454916
(2S)-2-(4-cyanophenoxy)-N-[(3-fluorophenyl)methylideneamino]propanamide
CID 129421420
(2S)-N-(4-cyanophenyl)-2-(3,4-dichlorophenoxy)propanamide
CID 7433052
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 2788482
N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-2-(4-cyanophenoxy)propanamide
CID 42996884
N-[1-(4-cyanophenyl)ethyl]-2-(3,4-dichlorophenoxy)propanamide
CID 55793168
(2R)-N-[(4-bromophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)propanamide
CID 1014694
2-(4-cyanophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]propanamide
CID 3670228
(2R)-2-(4-chlorophenoxy)-N-[(Z)-(4-methoxyphenyl)methylideneamino]propanamide
CID 5393226

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-cyanophenoxy)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]propanamide?
The IUPAC name of (2R)-2-(4-cyanophenoxy)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]propanamide (CID 5433222) is (2R)-2-(4-cyanophenoxy)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]propanamide.
What is the SMILES notation for (2R)-2-(4-cyanophenoxy)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]propanamide?
The canonical SMILES for (2R)-2-(4-cyanophenoxy)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]propanamide is C[C@@H](Oc1ccc(C#N)cc1)C(=O)N/N=C\c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2R)-2-(4-cyanophenoxy)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]propanamide?
The InChIKey is QRKLTBIOUJIKMZ-VARIZKOUSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2/c1-11(24-14-5-2-12(9-20)3-6-14)17(23)22-21-10-13-4-7-15(18)16(19)8-13/h2-8,10-11H,1H3,(H,22,23)/b21-10-/t11-/m1/s1.
What are the key properties of (2R)-2-(4-cyanophenoxy)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]propanamide?
(2R)-2-(4-cyanophenoxy)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]propanamide has a molecular weight of 362.22 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-cyanophenoxy)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]propanamide is sourced from PubChem (CID 5433222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).