(2R)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclopropylpropanamide

C13H15ClFNOS — CID 95579038

IUPAC(2R)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclopropylpropanamide
SMILESC[C@@H](SCc1c(F)cccc1Cl)C(=O)NC1CC1
InChIInChI=1S/C13H15ClFNOS/c1-8(13(17)16-9-5-6-9)18-7-10-11(14)3-2-4-12(10)15/h2-4,8-9H,5-7H2,1H3,(H,16,17)/t8-/m1/s1
InChIKeyFJTFZPWQEFJWQM-MRVPVSSYSA-N
MW287.79 g/mol
LogP3.38
Rot. Bonds5

About (2R)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclopropylpropanamide

(2R)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclopropylpropanamide (PubChem CID 95579038) has the molecular formula C13H15ClFNOS and a molecular weight of 287.79 g/mol. Its IUPAC name is (2R)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclopropylpropanamide
PubChem CID95579038
Molecular FormulaC13H15ClFNOS
Molecular Weight287.79 g/mol
Exact Mass287.05
IUPAC Name(2R)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclopropylpropanamide
SMILESC[C@@H](SCc1c(F)cccc1Cl)C(=O)NC1CC1
InChIInChI=1S/C13H15ClFNOS/c1-8(13(17)16-9-5-6-9)18-7-10-11(14)3-2-4-12(10)15/h2-4,8-9H,5-7H2,1H3,(H,16,17)/t8-/m1/s1
InChIKeyFJTFZPWQEFJWQM-MRVPVSSYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-cyclopropyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide
CID 95579031
(2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylpropanamide
CID 95579036
(2S)-N-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide
CID 95579029
N-(4-chlorocyclohexyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 114297195
(2S)-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]propanamide
CID 95579053
(2R)-2-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
CID 95599486
(2S)-2-[(S)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
CID 95599483
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclohexylacetamide
CID 967744
2-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 133198501
2-(2-chloro-6-fluorophenyl)-N-cyclohexylacetamide
CID 974091
2-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132628528
(2R)-2-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]-(2-phenylethyl)amino]-N-cyclohexylpropanamide
CID 100517182

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclopropylpropanamide?
The IUPAC name of (2R)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclopropylpropanamide (CID 95579038) is (2R)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclopropylpropanamide.
What is the SMILES notation for (2R)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclopropylpropanamide?
The canonical SMILES for (2R)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclopropylpropanamide is C[C@@H](SCc1c(F)cccc1Cl)C(=O)NC1CC1.
What is the InChIKey of (2R)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclopropylpropanamide?
The InChIKey is FJTFZPWQEFJWQM-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H15ClFNOS/c1-8(13(17)16-9-5-6-9)18-7-10-11(14)3-2-4-12(10)15/h2-4,8-9H,5-7H2,1H3,(H,16,17)/t8-/m1/s1.
What are the key properties of (2R)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclopropylpropanamide?
(2R)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclopropylpropanamide has a molecular weight of 287.79 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclopropylpropanamide is sourced from PubChem (CID 95579038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).