(2R,3R)-3-chloro-3-(4-fluorophenyl)-2-methylsulfanyl-N-phenylpropanamide

C16H15ClFNOS — CID 40541480

IUPAC(2R,3R)-3-chloro-3-(4-fluorophenyl)-2-methylsulfanyl-N-phenylpropanamide
SMILESCS[C@H](C(=O)Nc1ccccc1)[C@H](Cl)c1ccc(F)cc1
InChIInChI=1S/C16H15ClFNOS/c1-21-15(14(17)11-7-9-12(18)10-8-11)16(20)19-13-5-3-2-4-6-13/h2-10,14-15H,1H3,(H,19,20)/t14-,15+/m1/s1
InChIKeyTZNYNQVETZQGOU-CABCVRRESA-N
MW323.82 g/mol
LogP4.48
Rot. Bonds5

About (2R,3R)-3-chloro-3-(4-fluorophenyl)-2-methylsulfanyl-N-phenylpropanamide

(2R,3R)-3-chloro-3-(4-fluorophenyl)-2-methylsulfanyl-N-phenylpropanamide (PubChem CID 40541480) has the molecular formula C16H15ClFNOS and a molecular weight of 323.82 g/mol. Its IUPAC name is (2R,3R)-3-chloro-3-(4-fluorophenyl)-2-methylsulfanyl-N-phenylpropanamide.

Molecular Properties

Compound Name(2R,3R)-3-chloro-3-(4-fluorophenyl)-2-methylsulfanyl-N-phenylpropanamide
PubChem CID40541480
Molecular FormulaC16H15ClFNOS
Molecular Weight323.82 g/mol
Exact Mass323.05
IUPAC Name(2R,3R)-3-chloro-3-(4-fluorophenyl)-2-methylsulfanyl-N-phenylpropanamide
SMILESCS[C@H](C(=O)Nc1ccccc1)[C@H](Cl)c1ccc(F)cc1
InChIInChI=1S/C16H15ClFNOS/c1-21-15(14(17)11-7-9-12(18)10-8-11)16(20)19-13-5-3-2-4-6-13/h2-10,14-15H,1H3,(H,19,20)/t14-,15+/m1/s1
InChIKeyTZNYNQVETZQGOU-CABCVRRESA-N
XLogP4.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(4-fluorophenyl)-N-phenylacetamide
CID 123261896
N-(4-fluorophenyl)-2-phenylpropanamide
CID 2940269
2-chloro-N-(4-fluorophenyl)-3-oxo-3-phenylpropanamide
CID 4736856
2-chloro-N-(4-fluorophenyl)propanamide
CID 532266
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
CID 27868374
(2S)-2-anilino-N-(4-fluorophenyl)-2-phenylacetamide
CID 7830464
N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148415
[(1S)-1-(4-fluorophenyl)ethyl] N-phenylcarbamate
CID 174582664
2-(4-fluoroanilino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 46799428
2-benzoyl-3-methylsulfanyl-N,3-diphenylpropanamide
CID 163810301
(2R)-2-chloro-3-oxo-N-phenylbutanamide
CID 737830
2-chloro-2-(4-fluorophenyl)-N-methylacetamide
CID 10352801

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-chloro-3-(4-fluorophenyl)-2-methylsulfanyl-N-phenylpropanamide?
The IUPAC name of (2R,3R)-3-chloro-3-(4-fluorophenyl)-2-methylsulfanyl-N-phenylpropanamide (CID 40541480) is (2R,3R)-3-chloro-3-(4-fluorophenyl)-2-methylsulfanyl-N-phenylpropanamide.
What is the SMILES notation for (2R,3R)-3-chloro-3-(4-fluorophenyl)-2-methylsulfanyl-N-phenylpropanamide?
The canonical SMILES for (2R,3R)-3-chloro-3-(4-fluorophenyl)-2-methylsulfanyl-N-phenylpropanamide is CS[C@H](C(=O)Nc1ccccc1)[C@H](Cl)c1ccc(F)cc1.
What is the InChIKey of (2R,3R)-3-chloro-3-(4-fluorophenyl)-2-methylsulfanyl-N-phenylpropanamide?
The InChIKey is TZNYNQVETZQGOU-CABCVRRESA-N. The full InChI is InChI=1S/C16H15ClFNOS/c1-21-15(14(17)11-7-9-12(18)10-8-11)16(20)19-13-5-3-2-4-6-13/h2-10,14-15H,1H3,(H,19,20)/t14-,15+/m1/s1.
What are the key properties of (2R,3R)-3-chloro-3-(4-fluorophenyl)-2-methylsulfanyl-N-phenylpropanamide?
(2R,3R)-3-chloro-3-(4-fluorophenyl)-2-methylsulfanyl-N-phenylpropanamide has a molecular weight of 323.82 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-chloro-3-(4-fluorophenyl)-2-methylsulfanyl-N-phenylpropanamide is sourced from PubChem (CID 40541480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).