N-(2-chloro-4,6-dimethylphenyl)-3,3-dimethylbutanamide

C14H20ClNO — CID 2547402

IUPACN-(2-chloro-4,6-dimethylphenyl)-3,3-dimethylbutanamide
SMILESCc1cc(C)c(NC(=O)CC(C)(C)C)c(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-9-6-10(2)13(11(15)7-9)16-12(17)8-14(3,4)5/h6-7H,8H2,1-5H3,(H,16,17)
InChIKeyQEJBGYQXOYBBOU-UHFFFAOYSA-N
MW253.77 g/mol
LogP4.33
Rot. Bonds2

About N-(2-chloro-4,6-dimethylphenyl)-3,3-dimethylbutanamide

N-(2-chloro-4,6-dimethylphenyl)-3,3-dimethylbutanamide (PubChem CID 2547402) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-3,3-dimethylbutanamide
PubChem CID2547402
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-3,3-dimethylbutanamide
SMILESCc1cc(C)c(NC(=O)CC(C)(C)C)c(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-9-6-10(2)13(11(15)7-9)16-12(17)8-14(3,4)5/h6-7H,8H2,1-5H3,(H,16,17)
InChIKeyQEJBGYQXOYBBOU-UHFFFAOYSA-N
XLogP4.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3,3-dimethylbutanamide (CID 2547402) is N-(2-chloro-4,6-dimethylphenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-3,3-dimethylbutanamide is Cc1cc(C)c(NC(=O)CC(C)(C)C)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-3,3-dimethylbutanamide?
The InChIKey is QEJBGYQXOYBBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-9-6-10(2)13(11(15)7-9)16-12(17)8-14(3,4)5/h6-7H,8H2,1-5H3,(H,16,17).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-3,3-dimethylbutanamide?
N-(2-chloro-4,6-dimethylphenyl)-3,3-dimethylbutanamide has a molecular weight of 253.77 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 2547402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).