3-[5-chloro-4-(chloromethyl)-3-pyridinyl]-2,2-dimethylpropanamide

C11H14Cl2N2O — CID 67077679

IUPAC3-[5-chloro-4-(chloromethyl)-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(Cc1cncc(Cl)c1CCl)C(N)=O
InChIInChI=1S/C11H14Cl2N2O/c1-11(2,10(14)16)3-7-5-15-6-9(13)8(7)4-12/h5-6H,3-4H2,1-2H3,(H2,14,16)
InChIKeyGEXWPNBIYOSHBR-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.53
Rot. Bonds4

About 3-[5-chloro-4-(chloromethyl)-3-pyridinyl]-2,2-dimethylpropanamide

3-[5-chloro-4-(chloromethyl)-3-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 67077679) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is 3-[5-chloro-4-(chloromethyl)-3-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[5-chloro-4-(chloromethyl)-3-pyridinyl]-2,2-dimethylpropanamide
PubChem CID67077679
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name3-[5-chloro-4-(chloromethyl)-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(Cc1cncc(Cl)c1CCl)C(N)=O
InChIInChI=1S/C11H14Cl2N2O/c1-11(2,10(14)16)3-7-5-15-6-9(13)8(7)4-12/h5-6H,3-4H2,1-2H3,(H2,14,16)
InChIKeyGEXWPNBIYOSHBR-UHFFFAOYSA-N
XLogP2.53
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-4-(chloromethyl)-3-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-[5-chloro-4-(chloromethyl)-3-pyridinyl]-2,2-dimethylpropanamide (CID 67077679) is 3-[5-chloro-4-(chloromethyl)-3-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[5-chloro-4-(chloromethyl)-3-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[5-chloro-4-(chloromethyl)-3-pyridinyl]-2,2-dimethylpropanamide is CC(C)(Cc1cncc(Cl)c1CCl)C(N)=O.
What is the InChIKey of 3-[5-chloro-4-(chloromethyl)-3-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is GEXWPNBIYOSHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c1-11(2,10(14)16)3-7-5-15-6-9(13)8(7)4-12/h5-6H,3-4H2,1-2H3,(H2,14,16).
What are the key properties of 3-[5-chloro-4-(chloromethyl)-3-pyridinyl]-2,2-dimethylpropanamide?
3-[5-chloro-4-(chloromethyl)-3-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 261.15 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-4-(chloromethyl)-3-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 67077679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).