N-(2,6-dichloro-4-methyl-3-pyridinyl)-4-propan-2-ylbenzamide

C16H16Cl2N2O — CID 103738285

IUPACN-(2,6-dichloro-4-methyl-3-pyridinyl)-4-propan-2-ylbenzamide
SMILESCc1cc(Cl)nc(Cl)c1NC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H16Cl2N2O/c1-9(2)11-4-6-12(7-5-11)16(21)20-14-10(3)8-13(17)19-15(14)18/h4-9H,1-3H3,(H,20,21)
InChIKeyNRUFYBFOFXUZKM-UHFFFAOYSA-N
MW323.22 g/mol
LogP5.07
Rot. Bonds3

About N-(2,6-dichloro-4-methyl-3-pyridinyl)-4-propan-2-ylbenzamide

N-(2,6-dichloro-4-methyl-3-pyridinyl)-4-propan-2-ylbenzamide (PubChem CID 103738285) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is N-(2,6-dichloro-4-methyl-3-pyridinyl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(2,6-dichloro-4-methyl-3-pyridinyl)-4-propan-2-ylbenzamide
PubChem CID103738285
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC NameN-(2,6-dichloro-4-methyl-3-pyridinyl)-4-propan-2-ylbenzamide
SMILESCc1cc(Cl)nc(Cl)c1NC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H16Cl2N2O/c1-9(2)11-4-6-12(7-5-11)16(21)20-14-10(3)8-13(17)19-15(14)18/h4-9H,1-3H3,(H,20,21)
InChIKeyNRUFYBFOFXUZKM-UHFFFAOYSA-N
XLogP5.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.22
LogP ≤ 55.07
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)-3-(dimethylamino)benzamide
CID 103738351
N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-methylpyrazole-3-carboxamide
CID 114051088
5-bromo-2-chloro-N-(2,6-dichloro-4-methyl-3-pyridinyl)benzamide
CID 103738286
N-(2,6-dichloro-4-methyl-3-pyridinyl)-2,5-difluorobenzamide
CID 103738259
N-(2,6-dichloro-4-methyl-3-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 114051086
3-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 103738307
N-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide
CID 896623
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
N-(5-chloropyrazin-2-yl)-4-propan-2-ylbenzamide
CID 104964161
N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-methyl-2-(methylamino)propanamide
CID 114051353
4-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 114051091
N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-(2-methylphenyl)acetamide
CID 103738379

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-methyl-3-pyridinyl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(2,6-dichloro-4-methyl-3-pyridinyl)-4-propan-2-ylbenzamide (CID 103738285) is N-(2,6-dichloro-4-methyl-3-pyridinyl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(2,6-dichloro-4-methyl-3-pyridinyl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(2,6-dichloro-4-methyl-3-pyridinyl)-4-propan-2-ylbenzamide is Cc1cc(Cl)nc(Cl)c1NC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-(2,6-dichloro-4-methyl-3-pyridinyl)-4-propan-2-ylbenzamide?
The InChIKey is NRUFYBFOFXUZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-9(2)11-4-6-12(7-5-11)16(21)20-14-10(3)8-13(17)19-15(14)18/h4-9H,1-3H3,(H,20,21).
What are the key properties of N-(2,6-dichloro-4-methyl-3-pyridinyl)-4-propan-2-ylbenzamide?
N-(2,6-dichloro-4-methyl-3-pyridinyl)-4-propan-2-ylbenzamide has a molecular weight of 323.22 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-methyl-3-pyridinyl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 103738285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).