N-(4-bromo-2,6-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide

C16H14BrClFNO — CID 60795091

IUPACN-(4-bromo-2,6-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide
SMILESCc1cc(Br)cc(C)c1NC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H14BrClFNO/c1-9-6-11(17)7-10(2)16(9)20-15(21)8-12-13(18)4-3-5-14(12)19/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeySASFIIBJTNRDSW-UHFFFAOYSA-N
MW370.65 g/mol
LogP5.04
Rot. Bonds3

About N-(4-bromo-2,6-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide

N-(4-bromo-2,6-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide (PubChem CID 60795091) has the molecular formula C16H14BrClFNO and a molecular weight of 370.65 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide
PubChem CID60795091
Molecular FormulaC16H14BrClFNO
Molecular Weight370.65 g/mol
Exact Mass368.99
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide
SMILESCc1cc(Br)cc(C)c1NC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H14BrClFNO/c1-9-6-11(17)7-10(2)16(9)20-15(21)8-12-13(18)4-3-5-14(12)19/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeySASFIIBJTNRDSW-UHFFFAOYSA-N
XLogP5.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.65
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-bromo-5-methylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 107583887
N-(2-amino-4,6-dibromophenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 43548456
N-(4-bromo-2,6-dimethylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 123313382
N-(4-amino-2,5-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 103144428
2-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)acetamide
CID 2112014
N-(2-bromo-5-chlorophenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 81271948
N-(2-bromo-4-chlorophenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 81271848
N-(4-amino-2-methylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 28933939
N-(2-chloro-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 7959366
N-(2-bromo-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 28938648
2-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)acetamide
CID 9413330
2-(2-chloro-6-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9165979

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide (CID 60795091) is N-(4-bromo-2,6-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide is Cc1cc(Br)cc(C)c1NC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide?
The InChIKey is SASFIIBJTNRDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFNO/c1-9-6-11(17)7-10(2)16(9)20-15(21)8-12-13(18)4-3-5-14(12)19/h3-7H,8H2,1-2H3,(H,20,21).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide?
N-(4-bromo-2,6-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide has a molecular weight of 370.65 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide is sourced from PubChem (CID 60795091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).