5-bromo-2-chloro-N-(2,6-dichloro-4-methyl-3-pyridinyl)benzamide

C13H8BrCl3N2O — CID 103738286

IUPAC5-bromo-2-chloro-N-(2,6-dichloro-4-methyl-3-pyridinyl)benzamide
SMILESCc1cc(Cl)nc(Cl)c1NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H8BrCl3N2O/c1-6-4-10(16)18-12(17)11(6)19-13(20)8-5-7(14)2-3-9(8)15/h2-5H,1H3,(H,19,20)
InChIKeyXMWQRHZIFXHFOP-UHFFFAOYSA-N
MW394.48 g/mol
LogP5.37
Rot. Bonds2

About 5-bromo-2-chloro-N-(2,6-dichloro-4-methyl-3-pyridinyl)benzamide

5-bromo-2-chloro-N-(2,6-dichloro-4-methyl-3-pyridinyl)benzamide (PubChem CID 103738286) has the molecular formula C13H8BrCl3N2O and a molecular weight of 394.48 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2,6-dichloro-4-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2,6-dichloro-4-methyl-3-pyridinyl)benzamide
PubChem CID103738286
Molecular FormulaC13H8BrCl3N2O
Molecular Weight394.48 g/mol
Exact Mass391.89
IUPAC Name5-bromo-2-chloro-N-(2,6-dichloro-4-methyl-3-pyridinyl)benzamide
SMILESCc1cc(Cl)nc(Cl)c1NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H8BrCl3N2O/c1-6-4-10(16)18-12(17)11(6)19-13(20)8-5-7(14)2-3-9(8)15/h2-5H,1H3,(H,19,20)
InChIKeyXMWQRHZIFXHFOP-UHFFFAOYSA-N
XLogP5.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dichloro-4-methyl-3-pyridinyl)-2,5-difluorobenzamide
CID 103738259
5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
CID 3480420
4-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 114051091
3-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 103738307
N-(2,6-dichloro-4-methyl-3-pyridinyl)-4-propan-2-ylbenzamide
CID 103738285
5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 63654704
N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-methylpyrazole-3-carboxamide
CID 114051088
N-(2,6-dichloro-4-methyl-3-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 114051086
N-(5-amino-2-methylphenyl)-5-bromo-2-chlorobenzamide
CID 43378791
5-bromo-2-chloro-N-(2-methyl-1,3-benzoxazol-7-yl)benzamide
CID 110417913
2-[(5-bromo-2-chlorobenzoyl)amino]-3-chlorobenzoic acid
CID 107046721
N-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(dimethylamino)benzamide
CID 103738351

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2,6-dichloro-4-methyl-3-pyridinyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(2,6-dichloro-4-methyl-3-pyridinyl)benzamide (CID 103738286) is 5-bromo-2-chloro-N-(2,6-dichloro-4-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2,6-dichloro-4-methyl-3-pyridinyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2,6-dichloro-4-methyl-3-pyridinyl)benzamide is Cc1cc(Cl)nc(Cl)c1NC(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(2,6-dichloro-4-methyl-3-pyridinyl)benzamide?
The InChIKey is XMWQRHZIFXHFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl3N2O/c1-6-4-10(16)18-12(17)11(6)19-13(20)8-5-7(14)2-3-9(8)15/h2-5H,1H3,(H,19,20).
What are the key properties of 5-bromo-2-chloro-N-(2,6-dichloro-4-methyl-3-pyridinyl)benzamide?
5-bromo-2-chloro-N-(2,6-dichloro-4-methyl-3-pyridinyl)benzamide has a molecular weight of 394.48 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2,6-dichloro-4-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 103738286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).