2-chloro-N-[[3,5-dichloro-4-(4-chlorophenyl)sulfanylphenyl]carbamoyl]benzamide

C20H12Cl4N2O2S — CID 13186097

IUPAC2-chloro-N-[[3,5-dichloro-4-(4-chlorophenyl)sulfanylphenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1cc(Cl)c(Sc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C20H12Cl4N2O2S/c21-11-5-7-13(8-6-11)29-18-16(23)9-12(10-17(18)24)25-20(28)26-19(27)14-3-1-2-4-15(14)22/h1-10H,(H2,25,26,27,28)
InChIKeyRWCHNXFXXSUZNW-UHFFFAOYSA-N
MW486.21 g/mol
LogP7.41
Rot. Bonds4

About 2-chloro-N-[[3,5-dichloro-4-(4-chlorophenyl)sulfanylphenyl]carbamoyl]benzamide

2-chloro-N-[[3,5-dichloro-4-(4-chlorophenyl)sulfanylphenyl]carbamoyl]benzamide (PubChem CID 13186097) has the molecular formula C20H12Cl4N2O2S and a molecular weight of 486.21 g/mol. Its IUPAC name is 2-chloro-N-[[3,5-dichloro-4-(4-chlorophenyl)sulfanylphenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[3,5-dichloro-4-(4-chlorophenyl)sulfanylphenyl]carbamoyl]benzamide
PubChem CID13186097
Molecular FormulaC20H12Cl4N2O2S
Molecular Weight486.21 g/mol
Exact Mass483.94
IUPAC Name2-chloro-N-[[3,5-dichloro-4-(4-chlorophenyl)sulfanylphenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1cc(Cl)c(Sc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C20H12Cl4N2O2S/c21-11-5-7-13(8-6-11)29-18-16(23)9-12(10-17(18)24)25-20(28)26-19(27)14-3-1-2-4-15(14)22/h1-10H,(H2,25,26,27,28)
InChIKeyRWCHNXFXXSUZNW-UHFFFAOYSA-N
XLogP7.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.21
LogP ≤ 57.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide
CID 44561285
2-chloro-N-[(3-chloro-4-phenylphenyl)carbamoyl]benzamide
CID 134092649
2-chloro-N-[[3,5-dichloro-4-[methyl(prop-2-enyl)amino]phenyl]carbamoyl]benzamide
CID 54527720
N'-(2-chlorobenzoyl)-N-(4-chlorophenyl)oxamide
CID 2726843
2-chloro-N-[(2,5-dichloro-3-fluorophenyl)carbamoyl]benzamide
CID 86041132
2-chloro-N-[(3-chloro-4-phenoxyphenyl)carbamoyl]benzamide
CID 13186092
N-[[4-[(4-chlorophenyl)methylsulfanyl]phenyl]carbamoyl]-2-fluorobenzamide
CID 20524501
2-(2,4-dichlorophenoxy)-N-[(3,5-dichlorophenyl)carbamoyl]benzamide
CID 2805241
2-chloro-N-[[4-[4-chloro-N-(propylcarbamoyl)anilino]-3,5-dimethylphenyl]carbamoyl]benzamide
CID 70424425
2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
CID 70629375
2-chloro-N-[[3-chloro-4-(phenoxymethyl)phenyl]carbamoyl]benzamide
CID 70576608
2-chloro-N-[(4,5-dichlorothiophen-2-yl)carbamoyl]benzamide
CID 14600661

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3,5-dichloro-4-(4-chlorophenyl)sulfanylphenyl]carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[[3,5-dichloro-4-(4-chlorophenyl)sulfanylphenyl]carbamoyl]benzamide (CID 13186097) is 2-chloro-N-[[3,5-dichloro-4-(4-chlorophenyl)sulfanylphenyl]carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[3,5-dichloro-4-(4-chlorophenyl)sulfanylphenyl]carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[[3,5-dichloro-4-(4-chlorophenyl)sulfanylphenyl]carbamoyl]benzamide is O=C(NC(=O)c1ccccc1Cl)Nc1cc(Cl)c(Sc2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[[3,5-dichloro-4-(4-chlorophenyl)sulfanylphenyl]carbamoyl]benzamide?
The InChIKey is RWCHNXFXXSUZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl4N2O2S/c21-11-5-7-13(8-6-11)29-18-16(23)9-12(10-17(18)24)25-20(28)26-19(27)14-3-1-2-4-15(14)22/h1-10H,(H2,25,26,27,28).
What are the key properties of 2-chloro-N-[[3,5-dichloro-4-(4-chlorophenyl)sulfanylphenyl]carbamoyl]benzamide?
2-chloro-N-[[3,5-dichloro-4-(4-chlorophenyl)sulfanylphenyl]carbamoyl]benzamide has a molecular weight of 486.21 g/mol, XLogP of 7.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3,5-dichloro-4-(4-chlorophenyl)sulfanylphenyl]carbamoyl]benzamide is sourced from PubChem (CID 13186097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).