(2R,4R)-3-(2-chlorobenzoyl)-2-(4-fluorophenyl)-N-propyl-1,3-thiazolidine-4-carboxamide

C20H20ClFN2O2S — CID 7215999

IUPAC(2R,4R)-3-(2-chlorobenzoyl)-2-(4-fluorophenyl)-N-propyl-1,3-thiazolidine-4-carboxamide
SMILESCCCNC(=O)[C@@H]1CS[C@H](c2ccc(F)cc2)N1C(=O)c1ccccc1Cl
InChIInChI=1S/C20H20ClFN2O2S/c1-2-11-23-18(25)17-12-27-20(13-7-9-14(22)10-8-13)24(17)19(26)15-5-3-4-6-16(15)21/h3-10,17,20H,2,11-12H2,1H3,(H,23,25)/t17-,20+/m0/s1
InChIKeyZDFMFSZEVYDLIW-FXAWDEMLSA-N
MW406.91 g/mol
LogP4.26
Rot. Bonds5

About (2R,4R)-3-(2-chlorobenzoyl)-2-(4-fluorophenyl)-N-propyl-1,3-thiazolidine-4-carboxamide

(2R,4R)-3-(2-chlorobenzoyl)-2-(4-fluorophenyl)-N-propyl-1,3-thiazolidine-4-carboxamide (PubChem CID 7215999) has the molecular formula C20H20ClFN2O2S and a molecular weight of 406.91 g/mol. Its IUPAC name is (2R,4R)-3-(2-chlorobenzoyl)-2-(4-fluorophenyl)-N-propyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(2R,4R)-3-(2-chlorobenzoyl)-2-(4-fluorophenyl)-N-propyl-1,3-thiazolidine-4-carboxamide
PubChem CID7215999
Molecular FormulaC20H20ClFN2O2S
Molecular Weight406.91 g/mol
Exact Mass406.09
IUPAC Name(2R,4R)-3-(2-chlorobenzoyl)-2-(4-fluorophenyl)-N-propyl-1,3-thiazolidine-4-carboxamide
SMILESCCCNC(=O)[C@@H]1CS[C@H](c2ccc(F)cc2)N1C(=O)c1ccccc1Cl
InChIInChI=1S/C20H20ClFN2O2S/c1-2-11-23-18(25)17-12-27-20(13-7-9-14(22)10-8-13)24(17)19(26)15-5-3-4-6-16(15)21/h3-10,17,20H,2,11-12H2,1H3,(H,23,25)/t17-,20+/m0/s1
InChIKeyZDFMFSZEVYDLIW-FXAWDEMLSA-N
XLogP4.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.91
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 7288424
3-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42745200
(2R,4R)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide
CID 7356695
N-benzyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 42748496
(2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
CID 7498305
(2S,4R)-2-(4-fluorophenyl)-N-hexyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 7288637
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 4002807
2-(4-tert-butylphenyl)-3-(2-chlorobenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42744230
3-(4-methoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide
CID 42744343
(2S,4S)-3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 1195491
propyl 3-(2,4-dichlorobenzoyl)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate
CID 42728427
3-(3,4-dimethoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide
CID 42744233

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-3-(2-chlorobenzoyl)-2-(4-fluorophenyl)-N-propyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (2R,4R)-3-(2-chlorobenzoyl)-2-(4-fluorophenyl)-N-propyl-1,3-thiazolidine-4-carboxamide (CID 7215999) is (2R,4R)-3-(2-chlorobenzoyl)-2-(4-fluorophenyl)-N-propyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (2R,4R)-3-(2-chlorobenzoyl)-2-(4-fluorophenyl)-N-propyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (2R,4R)-3-(2-chlorobenzoyl)-2-(4-fluorophenyl)-N-propyl-1,3-thiazolidine-4-carboxamide is CCCNC(=O)[C@@H]1CS[C@H](c2ccc(F)cc2)N1C(=O)c1ccccc1Cl.
What is the InChIKey of (2R,4R)-3-(2-chlorobenzoyl)-2-(4-fluorophenyl)-N-propyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is ZDFMFSZEVYDLIW-FXAWDEMLSA-N. The full InChI is InChI=1S/C20H20ClFN2O2S/c1-2-11-23-18(25)17-12-27-20(13-7-9-14(22)10-8-13)24(17)19(26)15-5-3-4-6-16(15)21/h3-10,17,20H,2,11-12H2,1H3,(H,23,25)/t17-,20+/m0/s1.
What are the key properties of (2R,4R)-3-(2-chlorobenzoyl)-2-(4-fluorophenyl)-N-propyl-1,3-thiazolidine-4-carboxamide?
(2R,4R)-3-(2-chlorobenzoyl)-2-(4-fluorophenyl)-N-propyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 406.91 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-3-(2-chlorobenzoyl)-2-(4-fluorophenyl)-N-propyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 7215999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).