4-(chloromethyl)-N-(2,6-dichloro-3-methylphenyl)benzamide

C15H12Cl3NO — CID 43333397

IUPAC4-(chloromethyl)-N-(2,6-dichloro-3-methylphenyl)benzamide
SMILESCc1ccc(Cl)c(NC(=O)c2ccc(CCl)cc2)c1Cl
InChIInChI=1S/C15H12Cl3NO/c1-9-2-7-12(17)14(13(9)18)19-15(20)11-5-3-10(8-16)4-6-11/h2-7H,8H2,1H3,(H,19,20)
InChIKeyUJAALCHGWQZTGZ-UHFFFAOYSA-N
MW328.63 g/mol
LogP5.29
Rot. Bonds3

About 4-(chloromethyl)-N-(2,6-dichloro-3-methylphenyl)benzamide

4-(chloromethyl)-N-(2,6-dichloro-3-methylphenyl)benzamide (PubChem CID 43333397) has the molecular formula C15H12Cl3NO and a molecular weight of 328.63 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(2,6-dichloro-3-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-(2,6-dichloro-3-methylphenyl)benzamide
PubChem CID43333397
Molecular FormulaC15H12Cl3NO
Molecular Weight328.63 g/mol
Exact Mass327.00
IUPAC Name4-(chloromethyl)-N-(2,6-dichloro-3-methylphenyl)benzamide
SMILESCc1ccc(Cl)c(NC(=O)c2ccc(CCl)cc2)c1Cl
InChIInChI=1S/C15H12Cl3NO/c1-9-2-7-12(17)14(13(9)18)19-15(20)11-5-3-10(8-16)4-6-11/h2-7H,8H2,1H3,(H,19,20)
InChIKeyUJAALCHGWQZTGZ-UHFFFAOYSA-N
XLogP5.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.63
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dichloro-3-methylphenyl)-4-fluorobenzamide
CID 60628486
4-amino-N-(2,6-dichloro-3-methylphenyl)-3-methylbenzamide
CID 29273488
3,5-dibromo-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 107979976
4-amino-3,5-dichloro-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 82811367
N-(2,6-dichloro-3-methylphenyl)-3-methyl-4-(methylamino)benzamide
CID 63209863
4-(chloromethyl)-N-(2-chloro-4-methyl-3-pyridinyl)benzamide
CID 65489874
6-bromo-N-(2,6-dichloro-3-methylphenyl)pyridine-3-carboxamide
CID 66462872
4-(chloromethyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 43333467
3-(2,6-dichloro-3-methylanilino)-3-oxopropanoic acid
CID 62231070
4-(chloromethyl)-N-(4-chlorophenyl)benzamide
CID 43333316
4-(chloromethyl)-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 107679537
3-amino-N-(2,6-dichloro-3-methylphenyl)-5-methoxybenzamide
CID 81093926

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(2,6-dichloro-3-methylphenyl)benzamide?
The IUPAC name of 4-(chloromethyl)-N-(2,6-dichloro-3-methylphenyl)benzamide (CID 43333397) is 4-(chloromethyl)-N-(2,6-dichloro-3-methylphenyl)benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-(2,6-dichloro-3-methylphenyl)benzamide?
The canonical SMILES for 4-(chloromethyl)-N-(2,6-dichloro-3-methylphenyl)benzamide is Cc1ccc(Cl)c(NC(=O)c2ccc(CCl)cc2)c1Cl.
What is the InChIKey of 4-(chloromethyl)-N-(2,6-dichloro-3-methylphenyl)benzamide?
The InChIKey is UJAALCHGWQZTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3NO/c1-9-2-7-12(17)14(13(9)18)19-15(20)11-5-3-10(8-16)4-6-11/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 4-(chloromethyl)-N-(2,6-dichloro-3-methylphenyl)benzamide?
4-(chloromethyl)-N-(2,6-dichloro-3-methylphenyl)benzamide has a molecular weight of 328.63 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(2,6-dichloro-3-methylphenyl)benzamide is sourced from PubChem (CID 43333397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).