(2E)-3-(4-chlorophenyl)-2-hydroxyimino-N-(2-phenylsulfanylselanylethyl)propanamide

C17H17ClN2O2SSe — CID 142589378

IUPAC(2E)-3-(4-chlorophenyl)-2-hydroxyimino-N-(2-phenylsulfanylselanylethyl)propanamide
SMILESO=C(NCC[Se]Sc1ccccc1)/C(Cc1ccc(Cl)cc1)=N/O
InChIInChI=1S/C17H17ClN2O2SSe/c18-14-8-6-13(7-9-14)12-16(20-22)17(21)19-10-11-24-23-15-4-2-1-3-5-15/h1-9,22H,10-12H2,(H,19,21)/b20-16+
InChIKeyFFTJTJLLPXYVEI-CAPFRKAQSA-N
MW427.82 g/mol
LogP3.66
Rot. Bonds8

About (2E)-3-(4-chlorophenyl)-2-hydroxyimino-N-(2-phenylsulfanylselanylethyl)propanamide

(2E)-3-(4-chlorophenyl)-2-hydroxyimino-N-(2-phenylsulfanylselanylethyl)propanamide (PubChem CID 142589378) has the molecular formula C17H17ClN2O2SSe and a molecular weight of 427.82 g/mol. Its IUPAC name is (2E)-3-(4-chlorophenyl)-2-hydroxyimino-N-(2-phenylsulfanylselanylethyl)propanamide.

Molecular Properties

Compound Name(2E)-3-(4-chlorophenyl)-2-hydroxyimino-N-(2-phenylsulfanylselanylethyl)propanamide
PubChem CID142589378
Molecular FormulaC17H17ClN2O2SSe
Molecular Weight427.82 g/mol
Exact Mass427.99
IUPAC Name(2E)-3-(4-chlorophenyl)-2-hydroxyimino-N-(2-phenylsulfanylselanylethyl)propanamide
SMILESO=C(NCC[Se]Sc1ccccc1)/C(Cc1ccc(Cl)cc1)=N/O
InChIInChI=1S/C17H17ClN2O2SSe/c18-14-8-6-13(7-9-14)12-16(20-22)17(21)19-10-11-24-23-15-4-2-1-3-5-15/h1-9,22H,10-12H2,(H,19,21)/b20-16+
InChIKeyFFTJTJLLPXYVEI-CAPFRKAQSA-N
XLogP3.66
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.82
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-3-(3,4-dichlorophenyl)-N-[2-[2-[[(2E)-3-(3,4-dichlorophenyl)-2-hydroxyiminopropanoyl]amino]ethyldiselanyl]ethyl]-2-hydroxyiminopropanamide
CID 142589377
(2E)-3-(4-chlorophenyl)-N-[2-[2-[[(2E)-3-(4-chlorophenyl)-2-hydroxyiminopropanoyl]amino]ethyldiselanyl]ethyl]-2-hydroxyiminopropanamide
CID 142589381
(2E)-3-(3-chlorophenyl)-N-[2-[2-[[(2E)-3-(3-chlorophenyl)-2-hydroxyiminopropanoyl]amino]ethyldisulfanyl]ethyl]-2-hydroxyiminopropanamide
CID 155516547
(2E)-3-(2,4-dichlorophenyl)-N-[2-[2-[[(2E)-3-(2,4-dichlorophenyl)-2-hydroxyiminopropanoyl]amino]ethyldisulfanyl]ethyl]-2-hydroxyiminopropanamide
CID 155528027
(2Z)-3-(4-chlorophenyl)-N-[2-[2-[[(2E)-3-(4-chlorophenyl)-2-hydroxyiminopropanoyl]amino]ethyldisulfanyl]ethyl]-2-hydroxyiminopropanamide
CID 118733280
(2Z)-3-(3,4-dichlorophenyl)-N-[2-[2-[[(2E)-3-(3,4-dichlorophenyl)-2-hydroxyiminopropanoyl]amino]ethyldisulfanyl]ethyl]-2-hydroxyiminopropanamide
CID 118733285
(2Z)-3-(3,5-dichlorophenyl)-N-[2-[2-[[(2E)-3-(3,5-dichlorophenyl)-2-hydroxyiminopropanoyl]amino]ethyldisulfanyl]ethyl]-2-hydroxyiminopropanamide
CID 118733286
(2E)-3-(3-chlorophenyl)-N-[2-[2-[[(2E)-3-(3-chlorophenyl)-2-methoxyiminopropanoyl]amino]ethyldisulfanyl]ethyl]-2-methoxyiminopropanamide
CID 155544130
(2E)-3-(2,4-dichlorophenyl)-N-[2-[2-[[(2E)-3-(2,4-dichlorophenyl)-2-methoxyiminopropanoyl]amino]ethyldisulfanyl]ethyl]-2-methoxyiminopropanamide
CID 155556271
(2E)-3-(4-fluorophenyl)-2-hydroxyimino-N-(2-phenylsulfanylselanylethyl)propanamide
CID 142589364
(2E)-3-(3,4-difluorophenyl)-2-hydroxyimino-N-(2-phenylsulfanylselanylethyl)propanamide
CID 142589367
(2E)-N-[2-[(4-chlorophenyl)disulfanyl]ethyl]-3-(4-fluorophenyl)-2-hydroxyiminopropanamide
CID 10905411

Frequently Asked Questions

What is the IUPAC name of (2E)-3-(4-chlorophenyl)-2-hydroxyimino-N-(2-phenylsulfanylselanylethyl)propanamide?
The IUPAC name of (2E)-3-(4-chlorophenyl)-2-hydroxyimino-N-(2-phenylsulfanylselanylethyl)propanamide (CID 142589378) is (2E)-3-(4-chlorophenyl)-2-hydroxyimino-N-(2-phenylsulfanylselanylethyl)propanamide.
What is the SMILES notation for (2E)-3-(4-chlorophenyl)-2-hydroxyimino-N-(2-phenylsulfanylselanylethyl)propanamide?
The canonical SMILES for (2E)-3-(4-chlorophenyl)-2-hydroxyimino-N-(2-phenylsulfanylselanylethyl)propanamide is O=C(NCC[Se]Sc1ccccc1)/C(Cc1ccc(Cl)cc1)=N/O.
What is the InChIKey of (2E)-3-(4-chlorophenyl)-2-hydroxyimino-N-(2-phenylsulfanylselanylethyl)propanamide?
The InChIKey is FFTJTJLLPXYVEI-CAPFRKAQSA-N. The full InChI is InChI=1S/C17H17ClN2O2SSe/c18-14-8-6-13(7-9-14)12-16(20-22)17(21)19-10-11-24-23-15-4-2-1-3-5-15/h1-9,22H,10-12H2,(H,19,21)/b20-16+.
What are the key properties of (2E)-3-(4-chlorophenyl)-2-hydroxyimino-N-(2-phenylsulfanylselanylethyl)propanamide?
(2E)-3-(4-chlorophenyl)-2-hydroxyimino-N-(2-phenylsulfanylselanylethyl)propanamide has a molecular weight of 427.82 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-(4-chlorophenyl)-2-hydroxyimino-N-(2-phenylsulfanylselanylethyl)propanamide is sourced from PubChem (CID 142589378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).