N-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide

C10H12Cl2N2O — CID 59829116

IUPACN-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1c(Cl)cncc1Cl
InChIInChI=1S/C10H12Cl2N2O/c1-10(2,3)9(15)14-8-6(11)4-13-5-7(8)12/h4-5H,1-3H3,(H,13,14,15)
InChIKeyQXEZLSWMWZOXJD-UHFFFAOYSA-N
MW247.12 g/mol
LogP3.37
Rot. Bonds1

About N-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide

N-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide (PubChem CID 59829116) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide
PubChem CID59829116
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1c(Cl)cncc1Cl
InChIInChI=1S/C10H12Cl2N2O/c1-10(2,3)9(15)14-8-6(11)4-13-5-7(8)12/h4-5H,1-3H3,(H,13,14,15)
InChIKeyQXEZLSWMWZOXJD-UHFFFAOYSA-N
XLogP3.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide (CID 59829116) is N-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1c(Cl)cncc1Cl.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide?
The InChIKey is QXEZLSWMWZOXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O/c1-10(2,3)9(15)14-8-6(11)4-13-5-7(8)12/h4-5H,1-3H3,(H,13,14,15).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide?
N-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide has a molecular weight of 247.12 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 59829116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).