2,4-dichloro-N-[3-[1-(3-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide

C22H17Cl3N2O2S — CID 18902089

IUPAC2,4-dichloro-N-[3-[1-(3-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
SMILESCC(Sc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C22H17Cl3N2O2S/c1-13(21(28)26-16-5-2-4-14(23)10-16)30-18-7-3-6-17(12-18)27-22(29)19-9-8-15(24)11-20(19)25/h2-13H,1H3,(H,26,28)(H,27,29)
InChIKeyGCPQZLWKIDUAII-UHFFFAOYSA-N
MW479.82 g/mol
LogP7.02
Rot. Bonds6

About 2,4-dichloro-N-[3-[1-(3-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide

2,4-dichloro-N-[3-[1-(3-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide (PubChem CID 18902089) has the molecular formula C22H17Cl3N2O2S and a molecular weight of 479.82 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-[1-(3-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-[1-(3-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
PubChem CID18902089
Molecular FormulaC22H17Cl3N2O2S
Molecular Weight479.82 g/mol
Exact Mass478.01
IUPAC Name2,4-dichloro-N-[3-[1-(3-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
SMILESCC(Sc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C22H17Cl3N2O2S/c1-13(21(28)26-16-5-2-4-14(23)10-16)30-18-7-3-6-17(12-18)27-22(29)19-9-8-15(24)11-20(19)25/h2-13H,1H3,(H,26,28)(H,27,29)
InChIKeyGCPQZLWKIDUAII-UHFFFAOYSA-N
XLogP7.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.82
LogP ≤ 57.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[3-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]sulfanylphenyl]benzamide
CID 18902134
2,4-dichloro-N-[3-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 18902141
N-[4-(1-anilino-1-oxopropan-2-yl)sulfanylphenyl]-2,4-dichlorobenzamide
CID 22781798
N-[3-[1-(3-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 18907849
2,3,4,5-tetrachloro-6-[[3-[1-(3-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18895837
2,4-dichloro-N-[4-[1-(4-iodoanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 21170590
N-[3-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-methylbenzamide
CID 18906417
2,4-dichloro-N-[3-[1-(3-chloro-4-fluoroanilino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide
CID 18902235
(2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 894028
N-[3-[1-(2,4-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide
CID 18904112
2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
CID 18900946
N-[3-[2-(4-bromoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-2,4-dichlorobenzamide
CID 18902302

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-[1-(3-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-[1-(3-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide (CID 18902089) is 2,4-dichloro-N-[3-[1-(3-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-[1-(3-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-[1-(3-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide is CC(Sc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[3-[1-(3-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide?
The InChIKey is GCPQZLWKIDUAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl3N2O2S/c1-13(21(28)26-16-5-2-4-14(23)10-16)30-18-7-3-6-17(12-18)27-22(29)19-9-8-15(24)11-20(19)25/h2-13H,1H3,(H,26,28)(H,27,29).
What are the key properties of 2,4-dichloro-N-[3-[1-(3-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide?
2,4-dichloro-N-[3-[1-(3-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide has a molecular weight of 479.82 g/mol, XLogP of 7.02, 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-[1-(3-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide is sourced from PubChem (CID 18902089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).