4-chloro-N-[(4-chlorophenyl)methyl]-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C19H18Cl2N2O4S — CID 42348310

IUPAC4-chloro-N-[(4-chlorophenyl)methyl]-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCC1(C)CS(=O)(=O)N(c2cc(C(=O)NCc3ccc(Cl)cc3)ccc2Cl)C1=O
InChIInChI=1S/C19H18Cl2N2O4S/c1-19(2)11-28(26,27)23(18(19)25)16-9-13(5-8-15(16)21)17(24)22-10-12-3-6-14(20)7-4-12/h3-9H,10-11H2,1-2H3,(H,22,24)
InChIKeyFJXKNGYMCVUMJA-UHFFFAOYSA-N
MW441.34 g/mol
LogP3.63
Rot. Bonds4

About 4-chloro-N-[(4-chlorophenyl)methyl]-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

4-chloro-N-[(4-chlorophenyl)methyl]-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 42348310) has the molecular formula C19H18Cl2N2O4S and a molecular weight of 441.34 g/mol. Its IUPAC name is 4-chloro-N-[(4-chlorophenyl)methyl]-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[(4-chlorophenyl)methyl]-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID42348310
Molecular FormulaC19H18Cl2N2O4S
Molecular Weight441.34 g/mol
Exact Mass440.04
IUPAC Name4-chloro-N-[(4-chlorophenyl)methyl]-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCC1(C)CS(=O)(=O)N(c2cc(C(=O)NCc3ccc(Cl)cc3)ccc2Cl)C1=O
InChIInChI=1S/C19H18Cl2N2O4S/c1-19(2)11-28(26,27)23(18(19)25)16-9-13(5-8-15(16)21)17(24)22-10-12-3-6-14(20)7-4-12/h3-9H,10-11H2,1-2H3,(H,22,24)
InChIKeyFJXKNGYMCVUMJA-UHFFFAOYSA-N
XLogP3.63
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 42228036
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CID 42348348
N-[(4-chlorophenyl)methyl]-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
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CID 5155963
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CID 92697199
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4-chloro-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56685918
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-chlorophenyl)methyl]-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of 4-chloro-N-[(4-chlorophenyl)methyl]-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 42348310) is 4-chloro-N-[(4-chlorophenyl)methyl]-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-[(4-chlorophenyl)methyl]-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-[(4-chlorophenyl)methyl]-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is CC1(C)CS(=O)(=O)N(c2cc(C(=O)NCc3ccc(Cl)cc3)ccc2Cl)C1=O.
What is the InChIKey of 4-chloro-N-[(4-chlorophenyl)methyl]-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is FJXKNGYMCVUMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O4S/c1-19(2)11-28(26,27)23(18(19)25)16-9-13(5-8-15(16)21)17(24)22-10-12-3-6-14(20)7-4-12/h3-9H,10-11H2,1-2H3,(H,22,24).
What are the key properties of 4-chloro-N-[(4-chlorophenyl)methyl]-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
4-chloro-N-[(4-chlorophenyl)methyl]-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 441.34 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-chlorophenyl)methyl]-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 42348310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).