N-[(2-chlorophenyl)methyl]-2,2-dimethylbutanamide

C13H18ClNO — CID 2206644

IUPACN-[(2-chlorophenyl)methyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C13H18ClNO/c1-4-13(2,3)12(16)15-9-10-7-5-6-8-11(10)14/h5-8H,4,9H2,1-3H3,(H,15,16)
InChIKeyUOOYXTXCHSNWMI-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.39
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2,2-dimethylbutanamide

N-[(2-chlorophenyl)methyl]-2,2-dimethylbutanamide (PubChem CID 2206644) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2,2-dimethylbutanamide
PubChem CID2206644
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC NameN-[(2-chlorophenyl)methyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C13H18ClNO/c1-4-13(2,3)12(16)15-9-10-7-5-6-8-11(10)14/h5-8H,4,9H2,1-3H3,(H,15,16)
InChIKeyUOOYXTXCHSNWMI-UHFFFAOYSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2,2-dimethylbutanamide (CID 2206644) is N-[(2-chlorophenyl)methyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2,2-dimethylbutanamide?
The InChIKey is UOOYXTXCHSNWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-4-13(2,3)12(16)15-9-10-7-5-6-8-11(10)14/h5-8H,4,9H2,1-3H3,(H,15,16).
What are the key properties of N-[(2-chlorophenyl)methyl]-2,2-dimethylbutanamide?
N-[(2-chlorophenyl)methyl]-2,2-dimethylbutanamide has a molecular weight of 239.75 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 2206644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).