(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(4-fluorophenyl)propanamide

C16H12ClF4NOS — CID 7397770

IUPAC(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(4-fluorophenyl)propanamide
SMILESC[C@@H](Sc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H12ClF4NOS/c1-9(15(23)22-11-4-2-10(18)3-5-11)24-12-6-7-14(17)13(8-12)16(19,20)21/h2-9H,1H3,(H,22,23)/t9-/m1/s1
InChIKeyBAGAWMXFMUVIMD-SECBINFHSA-N
MW377.79 g/mol
LogP5.62
Rot. Bonds4

About (2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(4-fluorophenyl)propanamide

(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(4-fluorophenyl)propanamide (PubChem CID 7397770) has the molecular formula C16H12ClF4NOS and a molecular weight of 377.79 g/mol. Its IUPAC name is (2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(4-fluorophenyl)propanamide
PubChem CID7397770
Molecular FormulaC16H12ClF4NOS
Molecular Weight377.79 g/mol
Exact Mass377.03
IUPAC Name(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(4-fluorophenyl)propanamide
SMILESC[C@@H](Sc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H12ClF4NOS/c1-9(15(23)22-11-4-2-10(18)3-5-11)24-12-6-7-14(17)13(8-12)16(19,20)21/h2-9H,1H3,(H,22,23)/t9-/m1/s1
InChIKeyBAGAWMXFMUVIMD-SECBINFHSA-N
XLogP5.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.79
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(3-acetylphenyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 7363945
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 16514508
(2S)-N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 8740662
(2R)-N-(5-chloro-2-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 7397776
(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(ethylcarbamoyl)propanamide
CID 51468554
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 82134049
(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-nitrophenyl)propanamide
CID 7397774
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
CID 46601417
N-benzyl-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 16514506
(2S)-N-(4-bromophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 7553826
4-chloro-3-[2-[4-[(4-fluorobenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid
CID 23096992
2-(4-acetamidophenyl)sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 4968943

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(4-fluorophenyl)propanamide?
The IUPAC name of (2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(4-fluorophenyl)propanamide (CID 7397770) is (2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(4-fluorophenyl)propanamide?
The canonical SMILES for (2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(4-fluorophenyl)propanamide is C[C@@H](Sc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of (2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(4-fluorophenyl)propanamide?
The InChIKey is BAGAWMXFMUVIMD-SECBINFHSA-N. The full InChI is InChI=1S/C16H12ClF4NOS/c1-9(15(23)22-11-4-2-10(18)3-5-11)24-12-6-7-14(17)13(8-12)16(19,20)21/h2-9H,1H3,(H,22,23)/t9-/m1/s1.
What are the key properties of (2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(4-fluorophenyl)propanamide?
(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(4-fluorophenyl)propanamide has a molecular weight of 377.79 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 7397770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).