2,4,6-trimethyl-N-(2,4,6-trichlorophenyl)benzamide

C16H14Cl3NO — CID 167943386

IUPAC2,4,6-trimethyl-N-(2,4,6-trichlorophenyl)benzamide
SMILESCc1cc(C)c(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C16H14Cl3NO/c1-8-4-9(2)14(10(3)5-8)16(21)20-15-12(18)6-11(17)7-13(15)19/h4-7H,1-3H3,(H,20,21)
InChIKeyPXZADNLXWRXXHH-UHFFFAOYSA-N
MW342.65 g/mol
LogP5.82
Rot. Bonds2

About 2,4,6-trimethyl-N-(2,4,6-trichlorophenyl)benzamide

2,4,6-trimethyl-N-(2,4,6-trichlorophenyl)benzamide (PubChem CID 167943386) has the molecular formula C16H14Cl3NO and a molecular weight of 342.65 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(2,4,6-trichlorophenyl)benzamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(2,4,6-trichlorophenyl)benzamide
PubChem CID167943386
Molecular FormulaC16H14Cl3NO
Molecular Weight342.65 g/mol
Exact Mass341.01
IUPAC Name2,4,6-trimethyl-N-(2,4,6-trichlorophenyl)benzamide
SMILESCc1cc(C)c(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C16H14Cl3NO/c1-8-4-9(2)14(10(3)5-8)16(21)20-15-12(18)6-11(17)7-13(15)19/h4-7H,1-3H3,(H,20,21)
InChIKeyPXZADNLXWRXXHH-UHFFFAOYSA-N
XLogP5.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.65
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(5-chloro-2-methylphenyl)-2,4,6-trimethylbenzamide
CID 675121
N-(4-chloro-2-fluorophenyl)-2,4,6-trimethylbenzamide
CID 6469057
2-amino-5-methyl-N-(2,4,6-trichlorophenyl)benzamide
CID 62510533
N-(4-bromo-2-chlorophenyl)-2,4,6-trimethylbenzamide
CID 53267510
2-amino-6-chloro-N-(2,4,6-trimethylphenyl)benzamide
CID 63659648
N-(3-amino-2,6-dimethylphenyl)-2,4,6-trimethylbenzamide
CID 24707284
N-(2-chloro-4,6-dimethylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide
CID 110681059
2-bromo-N-(2-chloro-4,6-dimethylphenyl)benzamide
CID 731571
N-(2-chloro-5-methyl-3-pyridinyl)-2,4,6-trimethylbenzamide
CID 102979790
N-(2-chloro-4,6-dimethylphenyl)-2-(methylamino)acetamide
CID 83537406
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide
CID 17168215
4,5-dibromo-N-(2-chloro-4,6-dimethylphenyl)thiophene-2-carboxamide
CID 19205247

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(2,4,6-trichlorophenyl)benzamide?
The IUPAC name of 2,4,6-trimethyl-N-(2,4,6-trichlorophenyl)benzamide (CID 167943386) is 2,4,6-trimethyl-N-(2,4,6-trichlorophenyl)benzamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(2,4,6-trichlorophenyl)benzamide?
The canonical SMILES for 2,4,6-trimethyl-N-(2,4,6-trichlorophenyl)benzamide is Cc1cc(C)c(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(2,4,6-trichlorophenyl)benzamide?
The InChIKey is PXZADNLXWRXXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NO/c1-8-4-9(2)14(10(3)5-8)16(21)20-15-12(18)6-11(17)7-13(15)19/h4-7H,1-3H3,(H,20,21).
What are the key properties of 2,4,6-trimethyl-N-(2,4,6-trichlorophenyl)benzamide?
2,4,6-trimethyl-N-(2,4,6-trichlorophenyl)benzamide has a molecular weight of 342.65 g/mol, XLogP of 5.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(2,4,6-trichlorophenyl)benzamide is sourced from PubChem (CID 167943386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).