2,4-dichloro-N-[4-(1,3-dithiolan-2-yl)phenyl]benzamide

C16H13Cl2NOS2 — CID 2819049

IUPAC2,4-dichloro-N-[4-(1,3-dithiolan-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(C2SCCS2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2NOS2/c17-11-3-6-13(14(18)9-11)15(20)19-12-4-1-10(2-5-12)16-21-7-8-22-16/h1-6,9,16H,7-8H2,(H,19,20)
InChIKeyBBSPVUCRSVIYAU-UHFFFAOYSA-N
MW370.33 g/mol
LogP5.72
Rot. Bonds3

About 2,4-dichloro-N-[4-(1,3-dithiolan-2-yl)phenyl]benzamide

2,4-dichloro-N-[4-(1,3-dithiolan-2-yl)phenyl]benzamide (PubChem CID 2819049) has the molecular formula C16H13Cl2NOS2 and a molecular weight of 370.33 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-(1,3-dithiolan-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-(1,3-dithiolan-2-yl)phenyl]benzamide
PubChem CID2819049
Molecular FormulaC16H13Cl2NOS2
Molecular Weight370.33 g/mol
Exact Mass368.98
IUPAC Name2,4-dichloro-N-[4-(1,3-dithiolan-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(C2SCCS2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2NOS2/c17-11-3-6-13(14(18)9-11)15(20)19-12-4-1-10(2-5-12)16-21-7-8-22-16/h1-6,9,16H,7-8H2,(H,19,20)
InChIKeyBBSPVUCRSVIYAU-UHFFFAOYSA-N
XLogP5.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.33
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
2,4-dichloro-N-(4-sulfanylphenyl)benzamide
CID 143459356
2,4-dichloro-N-[4-[(3R)-pyrrolidin-3-yl]phenyl]benzamide
CID 124566217
N-[4-(1-adamantyl)phenyl]-2,4-dichlorobenzamide
CID 4545545
2,4-dichloro-N-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]benzamide
CID 1348326
N-[4-[[2-(1-adamantyl)acetyl]amino]phenyl]-2,4-dichlorobenzamide
CID 4032449
2,4-dichloro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 9203694
2,4-dichloro-N-[4-[(3,5-dimethylbenzoyl)amino]phenyl]benzamide
CID 2206480
4-chloro-N-[3-(1,3-dithiolan-2-yl)phenyl]-2-nitrobenzamide
CID 26379703
2,4-dichloro-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559113
N-[4-(1-aminoethyl)phenyl]-2,4-dichlorobenzamide
CID 43321115
2,4-dichloro-N-[4-[(2,4-dichlorobenzoyl)sulfamoyl]phenyl]benzamide
CID 5064055

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-(1,3-dithiolan-2-yl)phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-(1,3-dithiolan-2-yl)phenyl]benzamide (CID 2819049) is 2,4-dichloro-N-[4-(1,3-dithiolan-2-yl)phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-(1,3-dithiolan-2-yl)phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-(1,3-dithiolan-2-yl)phenyl]benzamide is O=C(Nc1ccc(C2SCCS2)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[4-(1,3-dithiolan-2-yl)phenyl]benzamide?
The InChIKey is BBSPVUCRSVIYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NOS2/c17-11-3-6-13(14(18)9-11)15(20)19-12-4-1-10(2-5-12)16-21-7-8-22-16/h1-6,9,16H,7-8H2,(H,19,20).
What are the key properties of 2,4-dichloro-N-[4-(1,3-dithiolan-2-yl)phenyl]benzamide?
2,4-dichloro-N-[4-(1,3-dithiolan-2-yl)phenyl]benzamide has a molecular weight of 370.33 g/mol, XLogP of 5.72, 3 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-(1,3-dithiolan-2-yl)phenyl]benzamide is sourced from PubChem (CID 2819049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).