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

C14H9Cl4NO — CID 87870486

IUPACN-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide
SMILESO=C(c1ccccc1)N(Cl)Cc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl4NO/c15-10-6-12(16)11(13(17)7-10)8-19(18)14(20)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyCBHGNZIWFMDHBS-UHFFFAOYSA-N
MW349.04 g/mol
LogP5.44
Rot. Bonds3

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

N-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide (PubChem CID 87870486) has the molecular formula C14H9Cl4NO and a molecular weight of 349.04 g/mol. Its IUPAC name is N-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide.

Molecular Properties

Compound NameN-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide
PubChem CID87870486
Molecular FormulaC14H9Cl4NO
Molecular Weight349.04 g/mol
Exact Mass346.94
IUPAC NameN-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide
SMILESO=C(c1ccccc1)N(Cl)Cc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl4NO/c15-10-6-12(16)11(13(17)7-10)8-19(18)14(20)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyCBHGNZIWFMDHBS-UHFFFAOYSA-N
XLogP5.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.04
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-bromo-N-[(2,4-dichlorophenyl)methyl]benzamide
CID 87870430
(N-benzoylanilino) 2,4,6-trichlorobenzoate
CID 59855646
4-[benzoyl(benzyl)amino]-5,7-dichloronaphthalene-2-carboxylic acid
CID 71283525
N-benzoyl-N-(2-chlorophenyl)benzamide
CID 10592933
ethyl 2-[benzoyl(chloro)amino]acetate
CID 121217750
4-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide
CID 91449149
(N-benzoyl-3-chloroanilino) acetate
CID 132609379
N-(4-chlorophenyl)-N-hydroxybenzamide
CID 15217
2-phenyl-1-(2,4,6-trichlorophenyl)ethanone
CID 105349057
N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158
N-benzyl-N',3,5-trichloro-N'-(2-chloroacetyl)benzohydrazide
CID 57181125
N-(3-amino-3-oxopropyl)-N-benzyl-3,5-dichlorobenzamide
CID 28642575

Frequently Asked Questions

What is the IUPAC name of N-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide?
The IUPAC name of N-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide (CID 87870486) is N-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide.
What is the SMILES notation for N-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide?
The canonical SMILES for N-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide is O=C(c1ccccc1)N(Cl)Cc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of N-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide?
The InChIKey is CBHGNZIWFMDHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl4NO/c15-10-6-12(16)11(13(17)7-10)8-19(18)14(20)9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of N-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide?
N-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide has a molecular weight of 349.04 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide is sourced from PubChem (CID 87870486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).