N-[2,3-dichloro-6-(3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide

C16H15Cl2FN2O — CID 10359946

IUPACN-[2,3-dichloro-6-(3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1c(-c2ccncc2F)ccc(Cl)c1Cl
InChIInChI=1S/C16H15Cl2FN2O/c1-16(2,3)15(22)21-14-10(4-5-11(17)13(14)18)9-6-7-20-8-12(9)19/h4-8H,1-3H3,(H,21,22)
InChIKeyUHSVMBXSFDWJIO-UHFFFAOYSA-N
MW341.21 g/mol
LogP5.18
Rot. Bonds2

About N-[2,3-dichloro-6-(3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide

N-[2,3-dichloro-6-(3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide (PubChem CID 10359946) has the molecular formula C16H15Cl2FN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is N-[2,3-dichloro-6-(3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2,3-dichloro-6-(3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide
PubChem CID10359946
Molecular FormulaC16H15Cl2FN2O
Molecular Weight341.21 g/mol
Exact Mass340.05
IUPAC NameN-[2,3-dichloro-6-(3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1c(-c2ccncc2F)ccc(Cl)c1Cl
InChIInChI=1S/C16H15Cl2FN2O/c1-16(2,3)15(22)21-14-10(4-5-11(17)13(14)18)9-6-7-20-8-12(9)19/h4-8H,1-3H3,(H,21,22)
InChIKeyUHSVMBXSFDWJIO-UHFFFAOYSA-N
XLogP5.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.21
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide
CID 59829116
4-chloro-3-(3-fluoro-4-pyridinyl)benzoic acid
CID 107989864
4-(3-fluoro-4-pyridinyl)-3-methylbenzoic acid
CID 104738752
2-chloro-3-(2,2-dimethylpropanoylamino)-5-fluoro-4-methylbenzoic acid
CID 88546378
N-[6-chloro-2-methyl-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 11140927
methyl 4-(4-chloro-2-fluorophenyl)pyridine-3-carboxylate;methyl 4-chloropyridine-3-carboxylate
CID 118278250
3-fluoro-4-(2,4,6-trichlorophenyl)pyridine
CID 133090356
4-(2,6-dichlorophenyl)-3-fluoropyridine
CID 133090517
N-isoquinolin-6-yl-2,2-dimethylpropanamide
CID 135199975
N-(2-bromo-6-chloro-4-fluorophenyl)-2,2-dimethylpropanamide
CID 107612461
4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylate
CID 6932609
N-(3-formyl-4-pyridinyl)-2,2-dimethylpropanamide
CID 2779664

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dichloro-6-(3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2,3-dichloro-6-(3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide (CID 10359946) is N-[2,3-dichloro-6-(3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2,3-dichloro-6-(3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2,3-dichloro-6-(3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1c(-c2ccncc2F)ccc(Cl)c1Cl.
What is the InChIKey of N-[2,3-dichloro-6-(3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is UHSVMBXSFDWJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FN2O/c1-16(2,3)15(22)21-14-10(4-5-11(17)13(14)18)9-6-7-20-8-12(9)19/h4-8H,1-3H3,(H,21,22).
What are the key properties of N-[2,3-dichloro-6-(3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide?
N-[2,3-dichloro-6-(3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 341.21 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dichloro-6-(3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 10359946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).