(2R)-2-(2,4-dichlorophenoxy)-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]propanamide

C16H18Cl2N4O2 — CID 5433457

IUPAC(2R)-2-(2,4-dichlorophenoxy)-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]propanamide
SMILESCCn1cc(/C=N\NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(C)n1
InChIInChI=1S/C16H18Cl2N4O2/c1-4-22-9-12(10(2)21-22)8-19-20-16(23)11(3)24-15-6-5-13(17)7-14(15)18/h5-9,11H,4H2,1-3H3,(H,20,23)/b19-8-/t11-/m1/s1
InChIKeyUZHISFQPXITQQR-DLGFXHSSSA-N
MW369.25 g/mol
LogP3.44
Rot. Bonds6

About (2R)-2-(2,4-dichlorophenoxy)-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]propanamide

(2R)-2-(2,4-dichlorophenoxy)-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]propanamide (PubChem CID 5433457) has the molecular formula C16H18Cl2N4O2 and a molecular weight of 369.25 g/mol. Its IUPAC name is (2R)-2-(2,4-dichlorophenoxy)-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]propanamide.

Molecular Properties

Compound Name(2R)-2-(2,4-dichlorophenoxy)-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]propanamide
PubChem CID5433457
Molecular FormulaC16H18Cl2N4O2
Molecular Weight369.25 g/mol
Exact Mass368.08
IUPAC Name(2R)-2-(2,4-dichlorophenoxy)-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]propanamide
SMILESCCn1cc(/C=N\NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(C)n1
InChIInChI=1S/C16H18Cl2N4O2/c1-4-22-9-12(10(2)21-22)8-19-20-16(23)11(3)24-15-6-5-13(17)7-14(15)18/h5-9,11H,4H2,1-3H3,(H,20,23)/b19-8-/t11-/m1/s1
InChIKeyUZHISFQPXITQQR-DLGFXHSSSA-N
XLogP3.44
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 53.44
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-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]propanamide
CID 7036505
2-(2,4-dichlorophenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]propanamide
CID 3311079
2-(2,4-dichlorophenoxy)-N-[(2,3-difluorophenyl)methylideneamino]propanamide
CID 4924893
(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1H-indol-3-ylmethylideneamino]propanamide
CID 136672401
(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 41009806
ethyl 2-[4-[[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 3302228
(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]propanamide
CID 25301252
(2S)-2-(2,4-dichlorophenoxy)-N-[2-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]propanamide
CID 135887546
2-(2,4-dichlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide
CID 135615241
2-(4-chlorophenoxy)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]propanamide
CID 19168494
2-(2,4-dichlorophenoxy)-N-(quinoxalin-2-ylmethylideneamino)propanamide
CID 4984952
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-(2,4-dichlorophenoxy)propanamide
CID 5097247

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dichlorophenoxy)-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]propanamide?
The IUPAC name of (2R)-2-(2,4-dichlorophenoxy)-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]propanamide (CID 5433457) is (2R)-2-(2,4-dichlorophenoxy)-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]propanamide.
What is the SMILES notation for (2R)-2-(2,4-dichlorophenoxy)-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]propanamide?
The canonical SMILES for (2R)-2-(2,4-dichlorophenoxy)-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]propanamide is CCn1cc(/C=N\NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(C)n1.
What is the InChIKey of (2R)-2-(2,4-dichlorophenoxy)-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]propanamide?
The InChIKey is UZHISFQPXITQQR-DLGFXHSSSA-N. The full InChI is InChI=1S/C16H18Cl2N4O2/c1-4-22-9-12(10(2)21-22)8-19-20-16(23)11(3)24-15-6-5-13(17)7-14(15)18/h5-9,11H,4H2,1-3H3,(H,20,23)/b19-8-/t11-/m1/s1.
What are the key properties of (2R)-2-(2,4-dichlorophenoxy)-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]propanamide?
(2R)-2-(2,4-dichlorophenoxy)-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]propanamide has a molecular weight of 369.25 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dichlorophenoxy)-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]propanamide is sourced from PubChem (CID 5433457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).