2,3,6-trichloro-N-(2,4-dimethylphenyl)benzamide

C15H12Cl3NO — CID 19166051

IUPAC2,3,6-trichloro-N-(2,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2c(Cl)ccc(Cl)c2Cl)c(C)c1
InChIInChI=1S/C15H12Cl3NO/c1-8-3-6-12(9(2)7-8)19-15(20)13-10(16)4-5-11(17)14(13)18/h3-7H,1-2H3,(H,19,20)
InChIKeyWMMBUABNMUPRAV-UHFFFAOYSA-N
MW328.63 g/mol
LogP5.52
Rot. Bonds2

About 2,3,6-trichloro-N-(2,4-dimethylphenyl)benzamide

2,3,6-trichloro-N-(2,4-dimethylphenyl)benzamide (PubChem CID 19166051) has the molecular formula C15H12Cl3NO and a molecular weight of 328.63 g/mol. Its IUPAC name is 2,3,6-trichloro-N-(2,4-dimethylphenyl)benzamide.

Molecular Properties

Compound Name2,3,6-trichloro-N-(2,4-dimethylphenyl)benzamide
PubChem CID19166051
Molecular FormulaC15H12Cl3NO
Molecular Weight328.63 g/mol
Exact Mass327.00
IUPAC Name2,3,6-trichloro-N-(2,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2c(Cl)ccc(Cl)c2Cl)c(C)c1
InChIInChI=1S/C15H12Cl3NO/c1-8-3-6-12(9(2)7-8)19-15(20)13-10(16)4-5-11(17)14(13)18/h3-7H,1-2H3,(H,19,20)
InChIKeyWMMBUABNMUPRAV-UHFFFAOYSA-N
XLogP5.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.63
LogP ≤ 55.52
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

2-chloro-N-(2,4-dimethylphenyl)-5-hydroxybenzamide
CID 106501171
3-amino-4-chloro-N-(2,4-dimethylphenyl)benzamide
CID 16782790
2,6-dichloro-N-(2,5-dimethylphenyl)benzamide
CID 3534518
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
N'-(2,5-dichlorophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 108500949
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643
2-(3,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266432
N-(2,4-dimethylphenyl)acetamide;N-(4-iodo-2-methylphenyl)acetamide
CID 90975910
N-(2-chloro-5-methylphenyl)-2,6-dihydroxybenzamide
CID 107689718
5-chloro-N-(2,4-dimethylphenyl)-2-iodobenzamide
CID 38885805
2-chloro-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 114219413

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trichloro-N-(2,4-dimethylphenyl)benzamide?
The IUPAC name of 2,3,6-trichloro-N-(2,4-dimethylphenyl)benzamide (CID 19166051) is 2,3,6-trichloro-N-(2,4-dimethylphenyl)benzamide.
What is the SMILES notation for 2,3,6-trichloro-N-(2,4-dimethylphenyl)benzamide?
The canonical SMILES for 2,3,6-trichloro-N-(2,4-dimethylphenyl)benzamide is Cc1ccc(NC(=O)c2c(Cl)ccc(Cl)c2Cl)c(C)c1.
What is the InChIKey of 2,3,6-trichloro-N-(2,4-dimethylphenyl)benzamide?
The InChIKey is WMMBUABNMUPRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3NO/c1-8-3-6-12(9(2)7-8)19-15(20)13-10(16)4-5-11(17)14(13)18/h3-7H,1-2H3,(H,19,20).
What are the key properties of 2,3,6-trichloro-N-(2,4-dimethylphenyl)benzamide?
2,3,6-trichloro-N-(2,4-dimethylphenyl)benzamide has a molecular weight of 328.63 g/mol, XLogP of 5.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trichloro-N-(2,4-dimethylphenyl)benzamide is sourced from PubChem (CID 19166051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).