N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,6-dichloro-N-methylpyridine-2-carboxamide

C16H14BrCl2N3O2 — CID 26904882

IUPACN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,6-dichloro-N-methylpyridine-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C16H14BrCl2N3O2/c1-9-7-10(17)3-5-12(9)20-14(23)8-22(2)16(24)15-11(18)4-6-13(19)21-15/h3-7H,8H2,1-2H3,(H,20,23)
InChIKeyCRYYJGQUVNBUMZ-UHFFFAOYSA-N
MW431.12 g/mol
LogP4.17
Rot. Bonds4

About N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,6-dichloro-N-methylpyridine-2-carboxamide

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,6-dichloro-N-methylpyridine-2-carboxamide (PubChem CID 26904882) has the molecular formula C16H14BrCl2N3O2 and a molecular weight of 431.12 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,6-dichloro-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,6-dichloro-N-methylpyridine-2-carboxamide
PubChem CID26904882
Molecular FormulaC16H14BrCl2N3O2
Molecular Weight431.12 g/mol
Exact Mass428.96
IUPAC NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,6-dichloro-N-methylpyridine-2-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C16H14BrCl2N3O2/c1-9-7-10(17)3-5-12(9)20-14(23)8-22(2)16(24)15-11(18)4-6-13(19)21-15/h3-7H,8H2,1-2H3,(H,20,23)
InChIKeyCRYYJGQUVNBUMZ-UHFFFAOYSA-N
XLogP4.17
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.12
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,6-dichloro-N-methylpyridine-2-carboxamide 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

5-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-chloro-N-methylbenzamide
CID 26904812
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-chloro-N-methylthiophene-2-carboxamide
CID 26678374
3,6-dichloro-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 26772614
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
CID 27761650
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide
CID 26904815
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-fluoro-N-methylbenzamide
CID 8698305
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-chlorophenyl)-N-methylpropanamide
CID 36913449
N-(4-bromo-2-methylphenyl)-2-[methyl-(2-methylsulfanylacetyl)amino]acetamide
CID 17407334
3-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylpropanamide
CID 16583098
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(4-chlorophenoxy)-N-methylpropanamide
CID 55332635
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,5-dimethylimidazo[1,2-a]pyridine-2-carboxamide
CID 27761624
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 24543876

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,6-dichloro-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,6-dichloro-N-methylpyridine-2-carboxamide (CID 26904882) is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,6-dichloro-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,6-dichloro-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,6-dichloro-N-methylpyridine-2-carboxamide is Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,6-dichloro-N-methylpyridine-2-carboxamide?
The InChIKey is CRYYJGQUVNBUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrCl2N3O2/c1-9-7-10(17)3-5-12(9)20-14(23)8-22(2)16(24)15-11(18)4-6-13(19)21-15/h3-7H,8H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,6-dichloro-N-methylpyridine-2-carboxamide?
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,6-dichloro-N-methylpyridine-2-carboxamide has a molecular weight of 431.12 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,6-dichloro-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 26904882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).