N-(3-chlorophenyl)-2,2-dimethylpropanamide

C11H14ClNO — CID 532035

IUPACN-(3-chlorophenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO/c1-11(2,3)10(14)13-9-6-4-5-8(12)7-9/h4-7H,1-3H3,(H,13,14)
InChIKeyOGOQXGKPTWSHPS-UHFFFAOYSA-N
MW211.69 g/mol
LogP3.32
Rot. Bonds1

About N-(3-chlorophenyl)-2,2-dimethylpropanamide

N-(3-chlorophenyl)-2,2-dimethylpropanamide (PubChem CID 532035) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2,2-dimethylpropanamide
PubChem CID532035
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC NameN-(3-chlorophenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO/c1-11(2,3)10(14)13-9-6-4-5-8(12)7-9/h4-7H,1-3H3,(H,13,14)
InChIKeyOGOQXGKPTWSHPS-UHFFFAOYSA-N
XLogP3.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3-chlorophenyl)-2,2-dimethylpropanamide (CID 532035) is N-(3-chlorophenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-chlorophenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-chlorophenyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2,2-dimethylpropanamide?
The InChIKey is OGOQXGKPTWSHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-11(2,3)10(14)13-9-6-4-5-8(12)7-9/h4-7H,1-3H3,(H,13,14).
What are the key properties of N-(3-chlorophenyl)-2,2-dimethylpropanamide?
N-(3-chlorophenyl)-2,2-dimethylpropanamide has a molecular weight of 211.69 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 532035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).