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

C13H7Cl4NO — CID 134628984

IUPAC3-chloro-5-(2,4,5-trichlorophenyl)benzamide
SMILESNC(=O)c1cc(Cl)cc(-c2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C13H7Cl4NO/c14-8-2-6(1-7(3-8)13(18)19)9-4-11(16)12(17)5-10(9)15/h1-5H,(H2,18,19)
InChIKeyUTRQLBNLDRZCOA-UHFFFAOYSA-N
MW335.02 g/mol
LogP5.07
Rot. Bonds2

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

3-chloro-5-(2,4,5-trichlorophenyl)benzamide (PubChem CID 134628984) has the molecular formula C13H7Cl4NO and a molecular weight of 335.02 g/mol. Its IUPAC name is 3-chloro-5-(2,4,5-trichlorophenyl)benzamide.

Molecular Properties

Compound Name3-chloro-5-(2,4,5-trichlorophenyl)benzamide
PubChem CID134628984
Molecular FormulaC13H7Cl4NO
Molecular Weight335.02 g/mol
Exact Mass332.93
IUPAC Name3-chloro-5-(2,4,5-trichlorophenyl)benzamide
SMILESNC(=O)c1cc(Cl)cc(-c2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C13H7Cl4NO/c14-8-2-6(1-7(3-8)13(18)19)9-4-11(16)12(17)5-10(9)15/h1-5H,(H2,18,19)
InChIKeyUTRQLBNLDRZCOA-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_1', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-chlorobenzamide
CID 53417471
1,2,4-trichloro-5-(3-chloro-5-methylphenyl)benzene
CID 134627246
3-chloro-5-(2,4-dichlorophenyl)benzoic acid
CID 53227684
5-(3,5-dichlorophenyl)pyridine-3-carboxamide
CID 71303489
3,5-dichloro-4-iodobenzamide
CID 50849721
methyl 3-chloro-5-(2,5-dichlorophenyl)benzoate
CID 75488397
5-(3-carboxy-5-chlorophenyl)benzene-1,3-dicarboxylic acid
CID 53228361
3-chloro-4-(3,5-dichlorophenyl)benzoic acid
CID 114879100
sodium 3-carbamoyl-5-chlorobenzenesulfinate
CID 165453669
4-(3,4-dichlorophenyl)benzamide
CID 141087497
3-[5-[(2R)-1-amino-3-carboxypropan-2-yl]-2-chlorophenyl]-5-chlorobenzoic acid
CID 66725014
4-chloro(13C)benzamide
CID 175798194

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2,4,5-trichlorophenyl)benzamide?
The IUPAC name of 3-chloro-5-(2,4,5-trichlorophenyl)benzamide (CID 134628984) is 3-chloro-5-(2,4,5-trichlorophenyl)benzamide.
What is the SMILES notation for 3-chloro-5-(2,4,5-trichlorophenyl)benzamide?
The canonical SMILES for 3-chloro-5-(2,4,5-trichlorophenyl)benzamide is NC(=O)c1cc(Cl)cc(-c2cc(Cl)c(Cl)cc2Cl)c1.
What is the InChIKey of 3-chloro-5-(2,4,5-trichlorophenyl)benzamide?
The InChIKey is UTRQLBNLDRZCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl4NO/c14-8-2-6(1-7(3-8)13(18)19)9-4-11(16)12(17)5-10(9)15/h1-5H,(H2,18,19).
What are the key properties of 3-chloro-5-(2,4,5-trichlorophenyl)benzamide?
3-chloro-5-(2,4,5-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 3-chloro-5-(2,4,5-trichlorophenyl)benzamide is sourced from PubChem (CID 134628984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).