(2R)-2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]propanamide

C17H15Cl3N2O2 — CID 7036505

IUPAC(2R)-2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]propanamide
SMILESCc1cc(Cl)ccc1O[C@H](C)C(=O)N/N=C\c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl3N2O2/c1-10-7-13(18)5-6-16(10)24-11(2)17(23)22-21-9-12-3-4-14(19)8-15(12)20/h3-9,11H,1-2H3,(H,22,23)/b21-9-/t11-/m1/s1
InChIKeyVEVBMBLLPWVRAJ-LBUZSKGWSA-N
MW385.68 g/mol
LogP4.87
Rot. Bonds5

About (2R)-2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]propanamide

(2R)-2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]propanamide (PubChem CID 7036505) has the molecular formula C17H15Cl3N2O2 and a molecular weight of 385.68 g/mol. Its IUPAC name is (2R)-2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]propanamide
PubChem CID7036505
Molecular FormulaC17H15Cl3N2O2
Molecular Weight385.68 g/mol
Exact Mass384.02
IUPAC Name(2R)-2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]propanamide
SMILESCc1cc(Cl)ccc1O[C@H](C)C(=O)N/N=C\c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl3N2O2/c1-10-7-13(18)5-6-16(10)24-11(2)17(23)22-21-9-12-3-4-14(19)8-15(12)20/h3-9,11H,1-2H3,(H,22,23)/b21-9-/t11-/m1/s1
InChIKeyVEVBMBLLPWVRAJ-LBUZSKGWSA-N
XLogP4.87
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.68
LogP ≤ 54.87
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

2-(4-chlorophenoxy)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]propanamide
CID 19168494
2-(2,4-dichlorophenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]propanamide
CID 3311079
2-(4-chloro-2-methylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
CID 135606908
(2S)-N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide
CID 5436558
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(4-phenylphenoxy)propanamide
CID 19208277
(2S)-2-(4-chloro-2-methylphenoxy)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 136757836
2-(2,4-dichlorophenoxy)-N-[(2,3-difluorophenyl)methylideneamino]propanamide
CID 4924893
2-(4-chloro-2-methylphenoxy)-N-(3-methylbutan-2-ylideneamino)propanamide
CID 4165286
2-(4-chloro-2-methylphenoxy)-N-(heptylideneamino)propanamide
CID 4233087
(2R)-2-(2,4-dichlorophenoxy)-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]propanamide
CID 5433457
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 6162520
(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1H-indol-3-ylmethylideneamino]propanamide
CID 136672401

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]propanamide?
The IUPAC name of (2R)-2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]propanamide (CID 7036505) is (2R)-2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]propanamide.
What is the SMILES notation for (2R)-2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]propanamide?
The canonical SMILES for (2R)-2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]propanamide is Cc1cc(Cl)ccc1O[C@H](C)C(=O)N/N=C\c1ccc(Cl)cc1Cl.
What is the InChIKey of (2R)-2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]propanamide?
The InChIKey is VEVBMBLLPWVRAJ-LBUZSKGWSA-N. The full InChI is InChI=1S/C17H15Cl3N2O2/c1-10-7-13(18)5-6-16(10)24-11(2)17(23)22-21-9-12-3-4-14(19)8-15(12)20/h3-9,11H,1-2H3,(H,22,23)/b21-9-/t11-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]propanamide?
(2R)-2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]propanamide has a molecular weight of 385.68 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]propanamide is sourced from PubChem (CID 7036505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).