2,4-dichloro-N-[4-(trichloromethyl)-2-pyridinyl]benzamide

C13H7Cl5N2O — CID 15156845

IUPAC2,4-dichloro-N-[4-(trichloromethyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1cc(C(Cl)(Cl)Cl)ccn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H7Cl5N2O/c14-8-1-2-9(10(15)6-8)12(21)20-11-5-7(3-4-19-11)13(16,17)18/h1-6H,(H,19,20,21)
InChIKeyJBXLGFXWGCFVQJ-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.47
Rot. Bonds2

About 2,4-dichloro-N-[4-(trichloromethyl)-2-pyridinyl]benzamide

2,4-dichloro-N-[4-(trichloromethyl)-2-pyridinyl]benzamide (PubChem CID 15156845) has the molecular formula C13H7Cl5N2O and a molecular weight of 384.48 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-(trichloromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-(trichloromethyl)-2-pyridinyl]benzamide
PubChem CID15156845
Molecular FormulaC13H7Cl5N2O
Molecular Weight384.48 g/mol
Exact Mass381.90
IUPAC Name2,4-dichloro-N-[4-(trichloromethyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1cc(C(Cl)(Cl)Cl)ccn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H7Cl5N2O/c14-8-1-2-9(10(15)6-8)12(21)20-11-5-7(3-4-19-11)13(16,17)18/h1-6H,(H,19,20,21)
InChIKeyJBXLGFXWGCFVQJ-UHFFFAOYSA-N
XLogP5.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-N-[4-(trichloromethyl)-2-pyridinyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dichloro-N-[2-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide
CID 1339954
5-chloro-N-(4-chloro-2-pyridinyl)-2-fluorobenzamide
CID 113236117
2,2-dimethyl-N-[4-(trichloromethyl)-2-pyridinyl]propanamide
CID 15156839
2,4-dichloro-N-(1H-imidazol-2-yl)benzamide
CID 55027572
4-chloro-N-(4-chloro-2-pyridinyl)-2,5-difluorobenzamide
CID 113342708
N-(2-tert-butyl-4-pyridinyl)-2,4-dichlorobenzamide
CID 110443054
2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4-pyridinyl]benzamide
CID 23828920
2,4-dichloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide
CID 5348678
2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide
CID 3454315
2,4-dichloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]benzamide
CID 99626160
4-chloro-N-(4-chloro-2-pyridinyl)-2-nitrobenzamide
CID 115626712
N-(5-tert-butyl-1,2-oxazol-3-yl)-2,4-dichlorobenzamide
CID 17173901

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-(trichloromethyl)-2-pyridinyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-(trichloromethyl)-2-pyridinyl]benzamide (CID 15156845) is 2,4-dichloro-N-[4-(trichloromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-(trichloromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-(trichloromethyl)-2-pyridinyl]benzamide is O=C(Nc1cc(C(Cl)(Cl)Cl)ccn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[4-(trichloromethyl)-2-pyridinyl]benzamide?
The InChIKey is JBXLGFXWGCFVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl5N2O/c14-8-1-2-9(10(15)6-8)12(21)20-11-5-7(3-4-19-11)13(16,17)18/h1-6H,(H,19,20,21).
What are the key properties of 2,4-dichloro-N-[4-(trichloromethyl)-2-pyridinyl]benzamide?
2,4-dichloro-N-[4-(trichloromethyl)-2-pyridinyl]benzamide has a molecular weight of 384.48 g/mol, XLogP of 5.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-(trichloromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 15156845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).