2,3-dichloro-N-(3-chloro-5-prop-1-en-2-ylphenyl)-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide

C19H19Cl3N2O3S — CID 146628430

IUPAC2,3-dichloro-N-(3-chloro-5-prop-1-en-2-ylphenyl)-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide
SMILESC=C(C)c1cc(Cl)cc(NC(=O)c2cc(N3CCCS3(O)O)cc(Cl)c2Cl)c1
InChIInChI=1S/C19H19Cl3N2O3S/c1-11(2)12-6-13(20)8-14(7-12)23-19(25)16-9-15(10-17(21)18(16)22)24-4-3-5-28(24,26)27/h6-10,26-27H,1,3-5H2,2H3,(H,23,25)
InChIKeyAKPDCUVHHRRHEK-UHFFFAOYSA-N
MW461.80 g/mol
LogP6.81
Rot. Bonds4

About 2,3-dichloro-N-(3-chloro-5-prop-1-en-2-ylphenyl)-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide

2,3-dichloro-N-(3-chloro-5-prop-1-en-2-ylphenyl)-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide (PubChem CID 146628430) has the molecular formula C19H19Cl3N2O3S and a molecular weight of 461.80 g/mol. Its IUPAC name is 2,3-dichloro-N-(3-chloro-5-prop-1-en-2-ylphenyl)-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-(3-chloro-5-prop-1-en-2-ylphenyl)-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide
PubChem CID146628430
Molecular FormulaC19H19Cl3N2O3S
Molecular Weight461.80 g/mol
Exact Mass460.02
IUPAC Name2,3-dichloro-N-(3-chloro-5-prop-1-en-2-ylphenyl)-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide
SMILESC=C(C)c1cc(Cl)cc(NC(=O)c2cc(N3CCCS3(O)O)cc(Cl)c2Cl)c1
InChIInChI=1S/C19H19Cl3N2O3S/c1-11(2)12-6-13(20)8-14(7-12)23-19(25)16-9-15(10-17(21)18(16)22)24-4-3-5-28(24,26)27/h6-10,26-27H,1,3-5H2,2H3,(H,23,25)
InChIKeyAKPDCUVHHRRHEK-UHFFFAOYSA-N
XLogP6.81
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.80
LogP ≤ 56.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dichloro-N-(3-chloro-5-propylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146628114
2,3-dichloro-N-(3,5-dimethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146628312
2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide
CID 146628612
2-chloro-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-N-(3-propan-2-ylphenyl)benzamide
CID 146628313
2,3-dichloro-N-[3-chloro-5-(oxolan-3-yl)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146667513
N-(3-carbamoyl-5-propylphenyl)-2,3-dichloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146668453
2,3-dichloro-N-[3-chloro-5-[(3S)-oxolan-3-yl]phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146668423
2-chloro-N-(3-chloro-5-methoxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbenzamide
CID 146668607
2,3-dichloro-N-(3-cyano-5-ethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146667641
2-bromo-N-(3-chloro-5-methylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146668889
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-(1-fluoroethyl)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide
CID 146668673

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(3-chloro-5-prop-1-en-2-ylphenyl)-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of 2,3-dichloro-N-(3-chloro-5-prop-1-en-2-ylphenyl)-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide (CID 146628430) is 2,3-dichloro-N-(3-chloro-5-prop-1-en-2-ylphenyl)-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for 2,3-dichloro-N-(3-chloro-5-prop-1-en-2-ylphenyl)-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for 2,3-dichloro-N-(3-chloro-5-prop-1-en-2-ylphenyl)-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide is C=C(C)c1cc(Cl)cc(NC(=O)c2cc(N3CCCS3(O)O)cc(Cl)c2Cl)c1.
What is the InChIKey of 2,3-dichloro-N-(3-chloro-5-prop-1-en-2-ylphenyl)-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is AKPDCUVHHRRHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl3N2O3S/c1-11(2)12-6-13(20)8-14(7-12)23-19(25)16-9-15(10-17(21)18(16)22)24-4-3-5-28(24,26)27/h6-10,26-27H,1,3-5H2,2H3,(H,23,25).
What are the key properties of 2,3-dichloro-N-(3-chloro-5-prop-1-en-2-ylphenyl)-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide?
2,3-dichloro-N-(3-chloro-5-prop-1-en-2-ylphenyl)-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 461.80 g/mol, XLogP of 6.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(3-chloro-5-prop-1-en-2-ylphenyl)-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 146628430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).