2-(3,5-dichlorophenyl)-N-ethyl-2-methylpropanamide

C12H15Cl2NO — CID 110487750

IUPAC2-(3,5-dichlorophenyl)-N-ethyl-2-methylpropanamide
SMILESCCNC(=O)C(C)(C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2NO/c1-4-15-11(16)12(2,3)8-5-9(13)7-10(14)6-8/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyDQLFMYNKBFXLBJ-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.41
Rot. Bonds3

About 2-(3,5-dichlorophenyl)-N-ethyl-2-methylpropanamide

2-(3,5-dichlorophenyl)-N-ethyl-2-methylpropanamide (PubChem CID 110487750) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-N-ethyl-2-methylpropanamide.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-N-ethyl-2-methylpropanamide
PubChem CID110487750
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name2-(3,5-dichlorophenyl)-N-ethyl-2-methylpropanamide
SMILESCCNC(=O)C(C)(C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2NO/c1-4-15-11(16)12(2,3)8-5-9(13)7-10(14)6-8/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyDQLFMYNKBFXLBJ-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-N-ethyl-2-methylpropanamide?
The IUPAC name of 2-(3,5-dichlorophenyl)-N-ethyl-2-methylpropanamide (CID 110487750) is 2-(3,5-dichlorophenyl)-N-ethyl-2-methylpropanamide.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-N-ethyl-2-methylpropanamide?
The canonical SMILES for 2-(3,5-dichlorophenyl)-N-ethyl-2-methylpropanamide is CCNC(=O)C(C)(C)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-N-ethyl-2-methylpropanamide?
The InChIKey is DQLFMYNKBFXLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-4-15-11(16)12(2,3)8-5-9(13)7-10(14)6-8/h5-7H,4H2,1-3H3,(H,15,16).
What are the key properties of 2-(3,5-dichlorophenyl)-N-ethyl-2-methylpropanamide?
2-(3,5-dichlorophenyl)-N-ethyl-2-methylpropanamide has a molecular weight of 260.16 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-N-ethyl-2-methylpropanamide is sourced from PubChem (CID 110487750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).