(2R)-2-benzylsulfanyl-N-(2-chloro-4-fluorophenyl)propanamide

C16H15ClFNOS — CID 7377182

IUPAC(2R)-2-benzylsulfanyl-N-(2-chloro-4-fluorophenyl)propanamide
SMILESC[C@@H](SCc1ccccc1)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C16H15ClFNOS/c1-11(21-10-12-5-3-2-4-6-12)16(20)19-15-8-7-13(18)9-14(15)17/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyQPYDYIUIQXXRGC-LLVKDONJSA-N
MW323.82 g/mol
LogP4.74
Rot. Bonds5

About (2R)-2-benzylsulfanyl-N-(2-chloro-4-fluorophenyl)propanamide

(2R)-2-benzylsulfanyl-N-(2-chloro-4-fluorophenyl)propanamide (PubChem CID 7377182) has the molecular formula C16H15ClFNOS and a molecular weight of 323.82 g/mol. Its IUPAC name is (2R)-2-benzylsulfanyl-N-(2-chloro-4-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-benzylsulfanyl-N-(2-chloro-4-fluorophenyl)propanamide
PubChem CID7377182
Molecular FormulaC16H15ClFNOS
Molecular Weight323.82 g/mol
Exact Mass323.05
IUPAC Name(2R)-2-benzylsulfanyl-N-(2-chloro-4-fluorophenyl)propanamide
SMILESC[C@@H](SCc1ccccc1)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C16H15ClFNOS/c1-11(21-10-12-5-3-2-4-6-12)16(20)19-15-8-7-13(18)9-14(15)17/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyQPYDYIUIQXXRGC-LLVKDONJSA-N
XLogP4.74
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 ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methylsulfanyl]-N-(2,4-dichlorophenyl)propanamide
CID 18269483
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(2-fluorophenyl)propanamide
CID 42942830
N-(5-amino-2-fluorophenyl)-2-benzylsulfanylpropanamide
CID 43098969
(2R)-2-(4-benzylpyridin-1-ium-1-yl)-N-(2-chloro-4-fluorophenyl)propanamide
CID 8859904
(2S)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-chloro-4-fluorophenyl)propanamide
CID 7994650
methyl 3-[[(2R)-2-benzylsulfanylpropanoyl]amino]-4-chlorobenzoate
CID 51432434
2-benzylsulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 2943119
(2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide
CID 2369653
N-(5-amino-2-methylphenyl)-2-benzylsulfanylpropanamide
CID 43187440
(2R)-2-benzylsulfanyl-N-(2-chloro-3-pyridinyl)propanamide
CID 9459475
2-[[(2R)-2-benzylsulfanylpropanoyl]amino]benzoic acid
CID 9349511
(2S)-2-benzylsulfanyl-N-(3-chlorophenyl)propanamide
CID 846629

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzylsulfanyl-N-(2-chloro-4-fluorophenyl)propanamide?
The IUPAC name of (2R)-2-benzylsulfanyl-N-(2-chloro-4-fluorophenyl)propanamide (CID 7377182) is (2R)-2-benzylsulfanyl-N-(2-chloro-4-fluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-benzylsulfanyl-N-(2-chloro-4-fluorophenyl)propanamide?
The canonical SMILES for (2R)-2-benzylsulfanyl-N-(2-chloro-4-fluorophenyl)propanamide is C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of (2R)-2-benzylsulfanyl-N-(2-chloro-4-fluorophenyl)propanamide?
The InChIKey is QPYDYIUIQXXRGC-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15ClFNOS/c1-11(21-10-12-5-3-2-4-6-12)16(20)19-15-8-7-13(18)9-14(15)17/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-2-benzylsulfanyl-N-(2-chloro-4-fluorophenyl)propanamide?
(2R)-2-benzylsulfanyl-N-(2-chloro-4-fluorophenyl)propanamide has a molecular weight of 323.82 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzylsulfanyl-N-(2-chloro-4-fluorophenyl)propanamide is sourced from PubChem (CID 7377182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).