3-chloro-2,2-dimethyl-N-(2-pyridin-2-ylpropan-2-yl)propanamide

C13H19ClN2O — CID 82108663

IUPAC3-chloro-2,2-dimethyl-N-(2-pyridin-2-ylpropan-2-yl)propanamide
SMILESCC(C)(CCl)C(=O)NC(C)(C)c1ccccn1
InChIInChI=1S/C13H19ClN2O/c1-12(2,9-14)11(17)16-13(3,4)10-7-5-6-8-15-10/h5-8H,9H2,1-4H3,(H,16,17)
InChIKeyOELQEBXKFYKJIT-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.70
Rot. Bonds4

About 3-chloro-2,2-dimethyl-N-(2-pyridin-2-ylpropan-2-yl)propanamide

3-chloro-2,2-dimethyl-N-(2-pyridin-2-ylpropan-2-yl)propanamide (PubChem CID 82108663) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-(2-pyridin-2-ylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-(2-pyridin-2-ylpropan-2-yl)propanamide
PubChem CID82108663
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name3-chloro-2,2-dimethyl-N-(2-pyridin-2-ylpropan-2-yl)propanamide
SMILESCC(C)(CCl)C(=O)NC(C)(C)c1ccccn1
InChIInChI=1S/C13H19ClN2O/c1-12(2,9-14)11(17)16-13(3,4)10-7-5-6-8-15-10/h5-8H,9H2,1-4H3,(H,16,17)
InChIKeyOELQEBXKFYKJIT-UHFFFAOYSA-N
XLogP2.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2,2-dimethyl-N-pyrimidin-2-ylpropanamide
CID 63679565
2-(4-methylphenyl)-N-(2-pyridin-2-ylpropan-2-yl)acetamide
CID 113091918
N-(2-pyridin-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 110870482
4-iodo-N-(2-pyridin-2-ylpropan-2-yl)benzamide
CID 166438575
3-chloro-N-[2-(furan-2-yl)propan-2-yl]-2,2-dimethylpropanamide
CID 82110423
3-chloro-2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide
CID 63680516
N-(2-pyridin-2-ylpropan-2-yl)thiophene-2-carboxamide
CID 110870459
methyl 2-methyl-2-pyridin-2-ylpropanoate
CID 58077167
2,6-di(propan-2-yl)-N-(2-pyridin-2-ylpropan-2-yl)benzamide
CID 87976563
N-[(3-amino-2-pyridinyl)methyl]-3-chloro-2,2-dimethylpropanamide
CID 165440257
3-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2,2-dimethylpropanamide
CID 63680361
2,6-dimethyl-4-propan-2-yl-N-(2-pyridin-2-ylpropan-2-yl)benzamide
CID 132505720

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-(2-pyridin-2-ylpropan-2-yl)propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-(2-pyridin-2-ylpropan-2-yl)propanamide (CID 82108663) is 3-chloro-2,2-dimethyl-N-(2-pyridin-2-ylpropan-2-yl)propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-(2-pyridin-2-ylpropan-2-yl)propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-(2-pyridin-2-ylpropan-2-yl)propanamide is CC(C)(CCl)C(=O)NC(C)(C)c1ccccn1.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-(2-pyridin-2-ylpropan-2-yl)propanamide?
The InChIKey is OELQEBXKFYKJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-12(2,9-14)11(17)16-13(3,4)10-7-5-6-8-15-10/h5-8H,9H2,1-4H3,(H,16,17).
What are the key properties of 3-chloro-2,2-dimethyl-N-(2-pyridin-2-ylpropan-2-yl)propanamide?
3-chloro-2,2-dimethyl-N-(2-pyridin-2-ylpropan-2-yl)propanamide has a molecular weight of 254.76 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-(2-pyridin-2-ylpropan-2-yl)propanamide is sourced from PubChem (CID 82108663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).