2,4-dichloro-N-[3-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]benzamide

C21H15Cl3N2O2S — CID 18902162

IUPAC2,4-dichloro-N-[3-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]benzamide
SMILESO=C(CSc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H15Cl3N2O2S/c22-13-4-7-15(8-5-13)25-20(27)12-29-17-3-1-2-16(11-17)26-21(28)18-9-6-14(23)10-19(18)24/h1-11H,12H2,(H,25,27)(H,26,28)
InChIKeyLIPMRVREFBATCS-UHFFFAOYSA-N
MW465.79 g/mol
LogP6.63
Rot. Bonds6

About 2,4-dichloro-N-[3-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]benzamide

2,4-dichloro-N-[3-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]benzamide (PubChem CID 18902162) has the molecular formula C21H15Cl3N2O2S and a molecular weight of 465.79 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]benzamide
PubChem CID18902162
Molecular FormulaC21H15Cl3N2O2S
Molecular Weight465.79 g/mol
Exact Mass463.99
IUPAC Name2,4-dichloro-N-[3-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]benzamide
SMILESO=C(CSc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H15Cl3N2O2S/c22-13-4-7-15(8-5-13)25-20(27)12-29-17-3-1-2-16(11-17)26-21(28)18-9-6-14(23)10-19(18)24/h1-11H,12H2,(H,25,27)(H,26,28)
InChIKeyLIPMRVREFBATCS-UHFFFAOYSA-N
XLogP6.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.79
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 18902188
2,4-dichloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 18912590
2,4-dichloro-N-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 18912582
4-[3-[2-(4-chloroanilino)-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid
CID 18897062
N-[3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 18906483
4-[[3-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzene-1,3-dicarboxylic acid
CID 18896492
N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 19299392
2-[[3-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18895629
4-[[3-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzene-1,3-dicarboxylic acid
CID 18896494
2,4-dichloro-N-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]benzamide
CID 1348326
4-[[3-[2-(4-carboxyanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzene-1,3-dicarboxylic acid
CID 18896534
N-(2,4-dichlorophenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19316337

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]benzamide (CID 18902162) is 2,4-dichloro-N-[3-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]benzamide is O=C(CSc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)Nc1ccc(Cl)cc1.
What is the InChIKey of 2,4-dichloro-N-[3-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
The InChIKey is LIPMRVREFBATCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl3N2O2S/c22-13-4-7-15(8-5-13)25-20(27)12-29-17-3-1-2-16(11-17)26-21(28)18-9-6-14(23)10-19(18)24/h1-11H,12H2,(H,25,27)(H,26,28).
What are the key properties of 2,4-dichloro-N-[3-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
2,4-dichloro-N-[3-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]benzamide has a molecular weight of 465.79 g/mol, XLogP of 6.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 18902162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).