2-(2-bromo-5-fluorophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide

C14H19BrFNO — CID 75430590

IUPAC2-(2-bromo-5-fluorophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)N(C)C(=O)Cc1cc(F)ccc1Br
InChIInChI=1S/C14H19BrFNO/c1-5-14(2,3)17(4)13(18)9-10-8-11(16)6-7-12(10)15/h6-8H,5,9H2,1-4H3
InChIKeyNVMMVUKBQOOTGY-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.78
Rot. Bonds4

About 2-(2-bromo-5-fluorophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide

2-(2-bromo-5-fluorophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide (PubChem CID 75430590) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide
PubChem CID75430590
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name2-(2-bromo-5-fluorophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)N(C)C(=O)Cc1cc(F)ccc1Br
InChIInChI=1S/C14H19BrFNO/c1-5-14(2,3)17(4)13(18)9-10-8-11(16)6-7-12(10)15/h6-8H,5,9H2,1-4H3
InChIKeyNVMMVUKBQOOTGY-UHFFFAOYSA-N
XLogP3.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2-bromo-5-fluorophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromo-5-fluorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one
CID 79061427
tert-butyl 2-(2-bromo-5-fluorophenyl)acetate
CID 176515254
1-(2-bromo-5-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-one
CID 105090125
3-bromo-4-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 103707583
2-[(2-bromo-5-fluorophenyl)methylamino]-N,N-dimethylacetamide
CID 43310970
2-[(2-bromo-5-fluorophenyl)methyl-methylamino]ethanol
CID 62020447
2-(2-bromo-5-fluorophenyl)ethyl-methylcarbamic acid
CID 150275747
1-(2-bromo-5-fluorophenyl)-3-ethoxy-4-methylpentan-2-one
CID 116708626
1-(2-bromo-4-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-one
CID 79063196
1-(2-bromo-5-fluorophenyl)-3-chloropropan-2-one
CID 118843600
2-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide
CID 113476089
3-amino-1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-one
CID 116563898

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide (CID 75430590) is 2-(2-bromo-5-fluorophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)N(C)C(=O)Cc1cc(F)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is NVMMVUKBQOOTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-5-14(2,3)17(4)13(18)9-10-8-11(16)6-7-12(10)15/h6-8H,5,9H2,1-4H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide?
2-(2-bromo-5-fluorophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 316.21 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 75430590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).