2,4-dichloro-N-(diphenylcarbamothioyl)benzamide

C20H14Cl2N2OS — CID 5045349

IUPAC2,4-dichloro-N-(diphenylcarbamothioyl)benzamide
SMILESO=C(NC(=S)N(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H14Cl2N2OS/c21-14-11-12-17(18(22)13-14)19(25)23-20(26)24(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13H,(H,23,25,26)
InChIKeyZATCCBJYKDGOEE-UHFFFAOYSA-N
MW401.32 g/mol
LogP5.85
Rot. Bonds3

About 2,4-dichloro-N-(diphenylcarbamothioyl)benzamide

2,4-dichloro-N-(diphenylcarbamothioyl)benzamide (PubChem CID 5045349) has the molecular formula C20H14Cl2N2OS and a molecular weight of 401.32 g/mol. Its IUPAC name is 2,4-dichloro-N-(diphenylcarbamothioyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(diphenylcarbamothioyl)benzamide
PubChem CID5045349
Molecular FormulaC20H14Cl2N2OS
Molecular Weight401.32 g/mol
Exact Mass400.02
IUPAC Name2,4-dichloro-N-(diphenylcarbamothioyl)benzamide
SMILESO=C(NC(=S)N(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H14Cl2N2OS/c21-14-11-12-17(18(22)13-14)19(25)23-20(26)24(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13H,(H,23,25,26)
InChIKeyZATCCBJYKDGOEE-UHFFFAOYSA-N
XLogP5.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.32
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[naphthalen-2-yl(phenyl)carbamothioyl]benzamide
CID 3251814
2,4-dichloro-N-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide
CID 17230375
2,4-dichloro-N-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide
CID 17227923
2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]benzoic acid
CID 1010177
2,4-dichloro-N-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide
CID 3504913
2,4-dichloro-N-[methyl-[2-(2-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 4930697
2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide
CID 27746785
N-[2-(N-benzoylanilino)ethyl]-2,4-dichlorobenzamide
CID 42704589
N-[(2,4-dichlorobenzoyl)amino]carbamodithioate
CID 135747047
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
2,4-dichloro-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide
CID 3505238
2-bromo-N-[[(2,4-dichlorobenzoyl)amino]carbamothioyl]benzamide
CID 4636694

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(diphenylcarbamothioyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(diphenylcarbamothioyl)benzamide (CID 5045349) is 2,4-dichloro-N-(diphenylcarbamothioyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(diphenylcarbamothioyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(diphenylcarbamothioyl)benzamide is O=C(NC(=S)N(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(diphenylcarbamothioyl)benzamide?
The InChIKey is ZATCCBJYKDGOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2OS/c21-14-11-12-17(18(22)13-14)19(25)23-20(26)24(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13H,(H,23,25,26).
What are the key properties of 2,4-dichloro-N-(diphenylcarbamothioyl)benzamide?
2,4-dichloro-N-(diphenylcarbamothioyl)benzamide has a molecular weight of 401.32 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(diphenylcarbamothioyl)benzamide is sourced from PubChem (CID 5045349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).