2,3-dichloro-N-[3-propyl-5-(trifluoromethyl)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide

C20H19Cl2F3N2OS — CID 146668495

IUPAC2,3-dichloro-N-[3-propyl-5-(trifluoromethyl)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide
SMILESCCCc1cc(NC(=O)c2cc(N3CCCS3)cc(Cl)c2Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C20H19Cl2F3N2OS/c1-2-4-12-7-13(20(23,24)25)9-14(8-12)26-19(28)16-10-15(11-17(21)18(16)22)27-5-3-6-29-27/h7-11H,2-6H2,1H3,(H,26,28)
InChIKeyZYDXAGWJPSRBPH-UHFFFAOYSA-N
MW463.35 g/mol
LogP7.08
Rot. Bonds5

About 2,3-dichloro-N-[3-propyl-5-(trifluoromethyl)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide

2,3-dichloro-N-[3-propyl-5-(trifluoromethyl)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide (PubChem CID 146668495) has the molecular formula C20H19Cl2F3N2OS and a molecular weight of 463.35 g/mol. Its IUPAC name is 2,3-dichloro-N-[3-propyl-5-(trifluoromethyl)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[3-propyl-5-(trifluoromethyl)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide
PubChem CID146668495
Molecular FormulaC20H19Cl2F3N2OS
Molecular Weight463.35 g/mol
Exact Mass462.05
IUPAC Name2,3-dichloro-N-[3-propyl-5-(trifluoromethyl)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide
SMILESCCCc1cc(NC(=O)c2cc(N3CCCS3)cc(Cl)c2Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C20H19Cl2F3N2OS/c1-2-4-12-7-13(20(23,24)25)9-14(8-12)26-19(28)16-10-15(11-17(21)18(16)22)27-5-3-6-29-27/h7-11H,2-6H2,1H3,(H,26,28)
InChIKeyZYDXAGWJPSRBPH-UHFFFAOYSA-N
XLogP7.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.35
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dichloro-N-(3-chloro-5-piperidin-1-ylphenyl)-5-(1,2-thiazolidin-2-yl)benzamide
CID 146668522
2,3-dichloro-N-(3-chloro-5-propylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146628114
2-chloro-N-[3-chloro-5-[2-methoxyethyl(methyl)amino]phenyl]-5-(1,2-thiazolidin-2-yl)benzamide
CID 146667537
2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide
CID 146628612
1,3-dipropyl-5-(trifluoromethyl)benzene
CID 58332275
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 120604735
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-tert-butyl-5-methylpyrazole-4-carboxamide
CID 120605651
N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide
CID 2268598
ethane;2-hydroxy-5-propyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 163370448
4-chloro-1-methyl-3-propyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide
CID 850813
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-tert-butyl-5-ethylpyrazole-4-carboxamide
CID 120605053
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(4-ethylpiperazin-1-yl)propanamide
CID 120605625

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[3-propyl-5-(trifluoromethyl)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of 2,3-dichloro-N-[3-propyl-5-(trifluoromethyl)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide (CID 146668495) is 2,3-dichloro-N-[3-propyl-5-(trifluoromethyl)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for 2,3-dichloro-N-[3-propyl-5-(trifluoromethyl)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for 2,3-dichloro-N-[3-propyl-5-(trifluoromethyl)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide is CCCc1cc(NC(=O)c2cc(N3CCCS3)cc(Cl)c2Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 2,3-dichloro-N-[3-propyl-5-(trifluoromethyl)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide?
The InChIKey is ZYDXAGWJPSRBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2F3N2OS/c1-2-4-12-7-13(20(23,24)25)9-14(8-12)26-19(28)16-10-15(11-17(21)18(16)22)27-5-3-6-29-27/h7-11H,2-6H2,1H3,(H,26,28).
What are the key properties of 2,3-dichloro-N-[3-propyl-5-(trifluoromethyl)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide?
2,3-dichloro-N-[3-propyl-5-(trifluoromethyl)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide has a molecular weight of 463.35 g/mol, XLogP of 7.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[3-propyl-5-(trifluoromethyl)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 146668495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).