2-(3-chlorophenyl)-3-methylbutanamide

C11H14ClNO — CID 71977758

IUPAC2-(3-chlorophenyl)-3-methylbutanamide
SMILESCC(C)C(C(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO/c1-7(2)10(11(13)14)8-4-3-5-9(12)6-8/h3-7,10H,1-2H3,(H2,13,14)
InChIKeyKCFIRTVHGGNWBN-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.56
Rot. Bonds3

About 2-(3-chlorophenyl)-3-methylbutanamide

2-(3-chlorophenyl)-3-methylbutanamide (PubChem CID 71977758) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-methylbutanamide
PubChem CID71977758
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-(3-chlorophenyl)-3-methylbutanamide
SMILESCC(C)C(C(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO/c1-7(2)10(11(13)14)8-4-3-5-9(12)6-8/h3-7,10H,1-2H3,(H2,13,14)
InChIKeyKCFIRTVHGGNWBN-UHFFFAOYSA-N
XLogP2.56
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-methylbutanamide?
The IUPAC name of 2-(3-chlorophenyl)-3-methylbutanamide (CID 71977758) is 2-(3-chlorophenyl)-3-methylbutanamide.
What is the SMILES notation for 2-(3-chlorophenyl)-3-methylbutanamide?
The canonical SMILES for 2-(3-chlorophenyl)-3-methylbutanamide is CC(C)C(C(N)=O)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-methylbutanamide?
The InChIKey is KCFIRTVHGGNWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-7(2)10(11(13)14)8-4-3-5-9(12)6-8/h3-7,10H,1-2H3,(H2,13,14).
What are the key properties of 2-(3-chlorophenyl)-3-methylbutanamide?
2-(3-chlorophenyl)-3-methylbutanamide has a molecular weight of 211.69 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-methylbutanamide is sourced from PubChem (CID 71977758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).