2,4-dichloro-N-(3-chlorophenyl)-5-(1,2-thiazolidin-2-yl)benzamide

C16H13Cl3N2OS — CID 146667435

IUPAC2,4-dichloro-N-(3-chlorophenyl)-5-(1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc(N2CCCS2)c(Cl)cc1Cl
InChIInChI=1S/C16H13Cl3N2OS/c17-10-3-1-4-11(7-10)20-16(22)12-8-15(14(19)9-13(12)18)21-5-2-6-23-21/h1,3-4,7-9H,2,5-6H2,(H,20,22)
InChIKeyBXGJHLLITHPERQ-UHFFFAOYSA-N
MW387.72 g/mol
LogP5.76
Rot. Bonds3

About 2,4-dichloro-N-(3-chlorophenyl)-5-(1,2-thiazolidin-2-yl)benzamide

2,4-dichloro-N-(3-chlorophenyl)-5-(1,2-thiazolidin-2-yl)benzamide (PubChem CID 146667435) has the molecular formula C16H13Cl3N2OS and a molecular weight of 387.72 g/mol. Its IUPAC name is 2,4-dichloro-N-(3-chlorophenyl)-5-(1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(3-chlorophenyl)-5-(1,2-thiazolidin-2-yl)benzamide
PubChem CID146667435
Molecular FormulaC16H13Cl3N2OS
Molecular Weight387.72 g/mol
Exact Mass385.98
IUPAC Name2,4-dichloro-N-(3-chlorophenyl)-5-(1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc(N2CCCS2)c(Cl)cc1Cl
InChIInChI=1S/C16H13Cl3N2OS/c17-10-3-1-4-11(7-10)20-16(22)12-8-15(14(19)9-13(12)18)21-5-2-6-23-21/h1,3-4,7-9H,2,5-6H2,(H,20,22)
InChIKeyBXGJHLLITHPERQ-UHFFFAOYSA-N
XLogP5.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.72
LogP ≤ 55.76
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-chloro-N-[3-chloro-5-(dimethylamino)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide
CID 146668427
2-chloro-N-(3-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685766
4-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 81225135
2-chloro-N-(3-chlorophenyl)-5-methylsulfanylbenzamide
CID 24638890
2,3-dichloro-N-(3-chloro-5-piperidin-1-ylphenyl)-5-(1,2-thiazolidin-2-yl)benzamide
CID 146668522
N-(3-chlorophenyl)-1-ethyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide
CID 83273764
N-(3-chlorophenyl)-2-fluorobenzamide
CID 531935
2,3,4,5-tetrachloro-6-[(3-chlorophenyl)carbamoyl]benzoic acid
CID 5211269
2-chloro-N-[3-chloro-5-[2-methoxyethyl(methyl)amino]phenyl]-5-(1,2-thiazolidin-2-yl)benzamide
CID 146667537
[2,4-dichloro-6-[(3-chlorophenyl)carbamoyl]phenyl] hypochlorite
CID 22561455
N-(3-chlorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81443324
N-(3-chlorophenyl)-2-hydroxy-5-iodobenzamide
CID 103602012

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(3-chlorophenyl)-5-(1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of 2,4-dichloro-N-(3-chlorophenyl)-5-(1,2-thiazolidin-2-yl)benzamide (CID 146667435) is 2,4-dichloro-N-(3-chlorophenyl)-5-(1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(3-chlorophenyl)-5-(1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(3-chlorophenyl)-5-(1,2-thiazolidin-2-yl)benzamide is O=C(Nc1cccc(Cl)c1)c1cc(N2CCCS2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(3-chlorophenyl)-5-(1,2-thiazolidin-2-yl)benzamide?
The InChIKey is BXGJHLLITHPERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3N2OS/c17-10-3-1-4-11(7-10)20-16(22)12-8-15(14(19)9-13(12)18)21-5-2-6-23-21/h1,3-4,7-9H,2,5-6H2,(H,20,22).
What are the key properties of 2,4-dichloro-N-(3-chlorophenyl)-5-(1,2-thiazolidin-2-yl)benzamide?
2,4-dichloro-N-(3-chlorophenyl)-5-(1,2-thiazolidin-2-yl)benzamide has a molecular weight of 387.72 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(3-chlorophenyl)-5-(1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 146667435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).