4-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide

C14H9Cl4NO — CID 91449149

IUPAC4-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide
SMILESO=C(NCc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H9Cl4NO/c15-9-3-1-8(2-4-9)14(20)19-7-11-12(17)5-10(16)6-13(11)18/h1-6H,7H2,(H,19,20)
InChIKeyVUEZOPBWQGOIOY-UHFFFAOYSA-N
MW349.04 g/mol
LogP5.23
Rot. Bonds3

About 4-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide

4-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide (PubChem CID 91449149) has the molecular formula C14H9Cl4NO and a molecular weight of 349.04 g/mol. Its IUPAC name is 4-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide
PubChem CID91449149
Molecular FormulaC14H9Cl4NO
Molecular Weight349.04 g/mol
Exact Mass346.94
IUPAC Name4-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide
SMILESO=C(NCc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H9Cl4NO/c15-9-3-1-8(2-4-9)14(20)19-7-11-12(17)5-10(16)6-13(11)18/h1-6H,7H2,(H,19,20)
InChIKeyVUEZOPBWQGOIOY-UHFFFAOYSA-N
XLogP5.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.04
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide
CID 2804312
N-[[2,6-bis(dimethylamino)phenyl]methyl]-4-chlorobenzamide
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4-chloro-N-[(4,6-dimethyl-2-sulfanylidene-1H-pyridin-3-yl)methyl]benzamide
CID 672153
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
2-[(2,4,6-trichlorophenyl)methylcarbamoyl]cyclohexene-1-carboxylic acid
CID 134117063
4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
2-[(4-chlorobenzoyl)amino]acetyl chloride
CID 14545092
N-[[4-(carbamoylamino)phenyl]methyl]-4-chlorobenzamide
CID 52552945
2-[(4-chlorobenzoyl)amino]ethylcarbamic acid
CID 19741762
4-chloro-N-[2-(2-hydroxyethylamino)ethyl]benzamide
CID 3082615
4-chloro-N'-[2-(2,4-dichlorophenyl)acetyl]benzohydrazide
CID 7971635

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide?
The IUPAC name of 4-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide (CID 91449149) is 4-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide?
The canonical SMILES for 4-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide is O=C(NCc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide?
The InChIKey is VUEZOPBWQGOIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl4NO/c15-9-3-1-8(2-4-9)14(20)19-7-11-12(17)5-10(16)6-13(11)18/h1-6H,7H2,(H,19,20).
What are the key properties of 4-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide?
4-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide has a molecular weight of 349.04 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide is sourced from PubChem (CID 91449149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).