3-(chloromethyl)-N-(2,4,6-trichlorophenyl)benzamide

C14H9Cl4NO — CID 43333552

IUPAC3-(chloromethyl)-N-(2,4,6-trichlorophenyl)benzamide
SMILESO=C(Nc1c(Cl)cc(Cl)cc1Cl)c1cccc(CCl)c1
InChIInChI=1S/C14H9Cl4NO/c15-7-8-2-1-3-9(4-8)14(20)19-13-11(17)5-10(16)6-12(13)18/h1-6H,7H2,(H,19,20)
InChIKeySTEIPLJZLPERCU-UHFFFAOYSA-N
MW349.04 g/mol
LogP5.64
Rot. Bonds3

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

3-(chloromethyl)-N-(2,4,6-trichlorophenyl)benzamide (PubChem CID 43333552) has the molecular formula C14H9Cl4NO and a molecular weight of 349.04 g/mol. Its IUPAC name is 3-(chloromethyl)-N-(2,4,6-trichlorophenyl)benzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-(2,4,6-trichlorophenyl)benzamide
PubChem CID43333552
Molecular FormulaC14H9Cl4NO
Molecular Weight349.04 g/mol
Exact Mass346.94
IUPAC Name3-(chloromethyl)-N-(2,4,6-trichlorophenyl)benzamide
SMILESO=C(Nc1c(Cl)cc(Cl)cc1Cl)c1cccc(CCl)c1
InChIInChI=1S/C14H9Cl4NO/c15-7-8-2-1-3-9(4-8)14(20)19-13-11(17)5-10(16)6-12(13)18/h1-6H,7H2,(H,19,20)
InChIKeySTEIPLJZLPERCU-UHFFFAOYSA-N
XLogP5.64
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 ≤ 55.64
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

3-(chloromethyl)-N-(2,6-dichloro-4-fluorophenyl)benzamide
CID 83078751
N-(2-bromo-3-chlorophenyl)-3-(chloromethyl)benzamide
CID 103478723
3-(chloromethyl)-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 43333549
N-(4-bromo-3-chlorophenyl)-3-(chloromethyl)benzamide
CID 107619419
3-(chloromethyl)-N-(3-chloro-2-pyridinyl)benzamide
CID 103094075
3-(chloromethyl)-N-(4-hydroxyphenyl)benzamide
CID 43477757
N-(3-acetylphenyl)-3-(chloromethyl)benzamide
CID 43346840
3-(chloromethyl)-N-(4-methylthiophen-2-yl)benzamide
CID 151471059
3,5-dichloro-4-[(3-chlorobenzoyl)amino]benzoic acid
CID 82811022
3,4-dichloro-N-[3-(chloromethyl)phenyl]benzamide
CID 114293273
2,6-dichloro-N-(2,4,6-trichlorophenyl)pyridine-4-carboxamide
CID 43343719
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(chloromethyl)benzamide
CID 43156338

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-(2,4,6-trichlorophenyl)benzamide?
The IUPAC name of 3-(chloromethyl)-N-(2,4,6-trichlorophenyl)benzamide (CID 43333552) is 3-(chloromethyl)-N-(2,4,6-trichlorophenyl)benzamide.
What is the SMILES notation for 3-(chloromethyl)-N-(2,4,6-trichlorophenyl)benzamide?
The canonical SMILES for 3-(chloromethyl)-N-(2,4,6-trichlorophenyl)benzamide is O=C(Nc1c(Cl)cc(Cl)cc1Cl)c1cccc(CCl)c1.
What is the InChIKey of 3-(chloromethyl)-N-(2,4,6-trichlorophenyl)benzamide?
The InChIKey is STEIPLJZLPERCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl4NO/c15-7-8-2-1-3-9(4-8)14(20)19-13-11(17)5-10(16)6-12(13)18/h1-6H,7H2,(H,19,20).
What are the key properties of 3-(chloromethyl)-N-(2,4,6-trichlorophenyl)benzamide?
3-(chloromethyl)-N-(2,4,6-trichlorophenyl)benzamide has a molecular weight of 349.04 g/mol, XLogP of 5.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-(2,4,6-trichlorophenyl)benzamide is sourced from PubChem (CID 43333552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).