5-chloro-2-(2,3,4-trichlorophenyl)benzamide

C13H7Cl4NO — CID 118834866

IUPAC5-chloro-2-(2,3,4-trichlorophenyl)benzamide
SMILESNC(=O)c1cc(Cl)ccc1-c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H7Cl4NO/c14-6-1-2-7(9(5-6)13(18)19)8-3-4-10(15)12(17)11(8)16/h1-5H,(H2,18,19)
InChIKeySTUOAILAKNFTAC-UHFFFAOYSA-N
MW335.02 g/mol
LogP5.07
Rot. Bonds2

About 5-chloro-2-(2,3,4-trichlorophenyl)benzamide

5-chloro-2-(2,3,4-trichlorophenyl)benzamide (PubChem CID 118834866) has the molecular formula C13H7Cl4NO and a molecular weight of 335.02 g/mol. Its IUPAC name is 5-chloro-2-(2,3,4-trichlorophenyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(2,3,4-trichlorophenyl)benzamide
PubChem CID118834866
Molecular FormulaC13H7Cl4NO
Molecular Weight335.02 g/mol
Exact Mass332.93
IUPAC Name5-chloro-2-(2,3,4-trichlorophenyl)benzamide
SMILESNC(=O)c1cc(Cl)ccc1-c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H7Cl4NO/c14-6-1-2-7(9(5-6)13(18)19)8-3-4-10(15)12(17)11(8)16/h1-5H,(H2,18,19)
InChIKeySTUOAILAKNFTAC-UHFFFAOYSA-N
XLogP5.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.02
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[5-chloro-2-(2,3,4-trichlorophenyl)phenyl]ethanamine
CID 118840486
2-(2,5-dichlorophenyl)-2-oxoacetamide
CID 139220452
2-carbamoyl-5-chlorobenzoic acid
CID 57087443
2-acetyl-4-chlorobenzamide
CID 157282795
5-chloro-2-(2,5-dichlorophenyl)benzoic acid
CID 39233778
5-chloro-2-(3,4-dichloroanilino)benzamide
CID 141087561
2,5-dichloro-3-fluorobenzamide
CID 121228309
5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411
4-chloro-2-pyrrolidin-1-ylbenzamide
CID 175755085
3-chloro-4-(2,3,4-trichlorophenyl)benzoyl chloride
CID 134617312
5-chloro-2-(pentafluoro-λ6-sulfanyl)benzamide
CID 66523568
1-(2,5-dichlorophenyl)ethanone;ethane
CID 145081107

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,3,4-trichlorophenyl)benzamide?
The IUPAC name of 5-chloro-2-(2,3,4-trichlorophenyl)benzamide (CID 118834866) is 5-chloro-2-(2,3,4-trichlorophenyl)benzamide.
What is the SMILES notation for 5-chloro-2-(2,3,4-trichlorophenyl)benzamide?
The canonical SMILES for 5-chloro-2-(2,3,4-trichlorophenyl)benzamide is NC(=O)c1cc(Cl)ccc1-c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of 5-chloro-2-(2,3,4-trichlorophenyl)benzamide?
The InChIKey is STUOAILAKNFTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl4NO/c14-6-1-2-7(9(5-6)13(18)19)8-3-4-10(15)12(17)11(8)16/h1-5H,(H2,18,19).
What are the key properties of 5-chloro-2-(2,3,4-trichlorophenyl)benzamide?
5-chloro-2-(2,3,4-trichlorophenyl)benzamide has a molecular weight of 335.02 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,3,4-trichlorophenyl)benzamide is sourced from PubChem (CID 118834866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).