2-bromo-6-chloro-6-(2,6-dimethylphenyl)hexanamide

C14H19BrClNO — CID 57370521

IUPAC2-bromo-6-chloro-6-(2,6-dimethylphenyl)hexanamide
SMILESCc1cccc(C)c1C(Cl)CCCC(Br)C(N)=O
InChIInChI=1S/C14H19BrClNO/c1-9-5-3-6-10(2)13(9)12(16)8-4-7-11(15)14(17)18/h3,5-6,11-12H,4,7-8H2,1-2H3,(H2,17,18)
InChIKeyFQDXQEUDMCTJRZ-UHFFFAOYSA-N
MW332.67 g/mol
LogP4.00
Rot. Bonds6

About 2-bromo-6-chloro-6-(2,6-dimethylphenyl)hexanamide

2-bromo-6-chloro-6-(2,6-dimethylphenyl)hexanamide (PubChem CID 57370521) has the molecular formula C14H19BrClNO and a molecular weight of 332.67 g/mol. Its IUPAC name is 2-bromo-6-chloro-6-(2,6-dimethylphenyl)hexanamide.

Molecular Properties

Compound Name2-bromo-6-chloro-6-(2,6-dimethylphenyl)hexanamide
PubChem CID57370521
Molecular FormulaC14H19BrClNO
Molecular Weight332.67 g/mol
Exact Mass331.03
IUPAC Name2-bromo-6-chloro-6-(2,6-dimethylphenyl)hexanamide
SMILESCc1cccc(C)c1C(Cl)CCCC(Br)C(N)=O
InChIInChI=1S/C14H19BrClNO/c1-9-5-3-6-10(2)13(9)12(16)8-4-7-11(15)14(17)18/h3,5-6,11-12H,4,7-8H2,1-2H3,(H2,17,18)
InChIKeyFQDXQEUDMCTJRZ-UHFFFAOYSA-N
XLogP4.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-1-(2,6-dimethylphenyl)propan-2-one
CID 130894296
[2-amino-1-(2,6-dimethylphenyl)-2-oxoethyl]-triethylazanium chloride
CID 166758463
2-(2-ethyl-6-methylphenyl)-3,3-dimethylbutanamide
CID 86618512
2-bromo-2-(2-methylphenyl)acetamide
CID 19981756
2-(2,6-dimethylphenyl)hexanoic acid
CID 66815407
2-bromo-3-phenylpropanamide
CID 22238787
(2S)-2-bromo-3-phenylpropanamide
CID 71482600
2-(1-chloroethyl)-3-methylaniline
CID 174895936
3-amino-3-(2,6-dimethylphenyl)propanoic acid
CID 53441887
(3S)-3-amino-3-(2,6-dimethylphenyl)propanoic acid
CID 79003053
2-chloro-2-(2,6-diethylphenyl)acetamide
CID 70479437
3-(1-chloropentyl)-2,4-dimethylphenol
CID 154224205

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-6-(2,6-dimethylphenyl)hexanamide?
The IUPAC name of 2-bromo-6-chloro-6-(2,6-dimethylphenyl)hexanamide (CID 57370521) is 2-bromo-6-chloro-6-(2,6-dimethylphenyl)hexanamide.
What is the SMILES notation for 2-bromo-6-chloro-6-(2,6-dimethylphenyl)hexanamide?
The canonical SMILES for 2-bromo-6-chloro-6-(2,6-dimethylphenyl)hexanamide is Cc1cccc(C)c1C(Cl)CCCC(Br)C(N)=O.
What is the InChIKey of 2-bromo-6-chloro-6-(2,6-dimethylphenyl)hexanamide?
The InChIKey is FQDXQEUDMCTJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO/c1-9-5-3-6-10(2)13(9)12(16)8-4-7-11(15)14(17)18/h3,5-6,11-12H,4,7-8H2,1-2H3,(H2,17,18).
What are the key properties of 2-bromo-6-chloro-6-(2,6-dimethylphenyl)hexanamide?
2-bromo-6-chloro-6-(2,6-dimethylphenyl)hexanamide has a molecular weight of 332.67 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-6-(2,6-dimethylphenyl)hexanamide is sourced from PubChem (CID 57370521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).