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

C21H13Cl4NO2S — CID 23098450

IUPAC2,4-dichloro-N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzamide
SMILESO=C(CSc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H13Cl4NO2S/c22-13-2-7-16(18(24)10-13)21(28)26-14-3-5-15(6-4-14)29-11-20(27)12-1-8-17(23)19(25)9-12/h1-10H,11H2,(H,26,28)
InChIKeyGELRWDILGYIUAN-UHFFFAOYSA-N
MW485.22 g/mol
LogP7.53
Rot. Bonds6

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

2,4-dichloro-N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzamide (PubChem CID 23098450) has the molecular formula C21H13Cl4NO2S and a molecular weight of 485.22 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzamide
PubChem CID23098450
Molecular FormulaC21H13Cl4NO2S
Molecular Weight485.22 g/mol
Exact Mass482.94
IUPAC Name2,4-dichloro-N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzamide
SMILESO=C(CSc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H13Cl4NO2S/c22-13-2-7-16(18(24)10-13)21(28)26-14-3-5-15(6-4-14)29-11-20(27)12-1-8-17(23)19(25)9-12/h1-10H,11H2,(H,26,28)
InChIKeyGELRWDILGYIUAN-UHFFFAOYSA-N
XLogP7.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.22
LogP ≤ 57.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 22779188
(E)-4-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 22784722
N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 22779195
N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide
CID 23095508
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
4-[[3-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzene-1,3-dicarboxylic acid
CID 18894810
3,4-dichloro-N-[(Z)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 6177494
2,4-dichloro-N-[3-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 18902162
3,4-dichloro-N-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]benzamide
CID 19645200
N-[4-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide
CID 22777720
N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide
CID 22782755
2,4-dichloro-N-(4-sulfanylphenyl)benzamide
CID 143459356

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzamide (CID 23098450) is 2,4-dichloro-N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzamide is O=C(CSc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzamide?
The InChIKey is GELRWDILGYIUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl4NO2S/c22-13-2-7-16(18(24)10-13)21(28)26-14-3-5-15(6-4-14)29-11-20(27)12-1-8-17(23)19(25)9-12/h1-10H,11H2,(H,26,28).
What are the key properties of 2,4-dichloro-N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzamide?
2,4-dichloro-N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzamide has a molecular weight of 485.22 g/mol, XLogP of 7.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 23098450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).