2-(4-bromo-3-fluorophenyl)-N-cyclopropyl-N-methylacetamide

C12H13BrFNO — CID 176515895

IUPAC2-(4-bromo-3-fluorophenyl)-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)Cc1ccc(Br)c(F)c1)C1CC1
InChIInChI=1S/C12H13BrFNO/c1-15(9-3-4-9)12(16)7-8-2-5-10(13)11(14)6-8/h2,5-6,9H,3-4,7H2,1H3
InChIKeyUJDGYJSRQFVRAW-UHFFFAOYSA-N
MW286.14 g/mol
LogP2.75
Rot. Bonds3

About 2-(4-bromo-3-fluorophenyl)-N-cyclopropyl-N-methylacetamide

2-(4-bromo-3-fluorophenyl)-N-cyclopropyl-N-methylacetamide (PubChem CID 176515895) has the molecular formula C12H13BrFNO and a molecular weight of 286.14 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)-N-cyclopropyl-N-methylacetamide
PubChem CID176515895
Molecular FormulaC12H13BrFNO
Molecular Weight286.14 g/mol
Exact Mass285.02
IUPAC Name2-(4-bromo-3-fluorophenyl)-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)Cc1ccc(Br)c(F)c1)C1CC1
InChIInChI=1S/C12H13BrFNO/c1-15(9-3-4-9)12(16)7-8-2-5-10(13)11(14)6-8/h2,5-6,9H,3-4,7H2,1H3
InChIKeyUJDGYJSRQFVRAW-UHFFFAOYSA-N
XLogP2.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(4-bromo-3-fluorophenyl)-N-cyclopropyl-N-methylacetamide 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

2-(3-bromo-4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119553066
2-(4-aminophenyl)-N-cyclopropyl-N-methylacetamide
CID 43264480
2-(3,4-difluorophenyl)-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methylacetamide
CID 165362286
2-(4-fluorophenyl)-N-methyl-N-(4-oxocyclohexyl)acetamide
CID 79120059
N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-N-methylacetamide
CID 79121866
N-cyclopropyl-2-[4-hydroxy-3-(trifluoromethoxy)phenyl]-N-methylacetamide
CID 166390956
2-(4-aminophenyl)-N-cyclobutyl-N-methylacetamide
CID 115739567
N-benzyl-2-(3-bromo-4-fluorophenyl)-N-cyclopropylacetamide
CID 60526454
2-(3,4-dimethylphenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 62537495
1-(4-bromo-3-fluorophenyl)-3-sulfanylpropan-2-one
CID 58139305
2-(3,4-dichlorophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 134046949
2-[[2-(4-bromo-3-fluorophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 120516212

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenyl)-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)-N-cyclopropyl-N-methylacetamide (CID 176515895) is 2-(4-bromo-3-fluorophenyl)-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)-N-cyclopropyl-N-methylacetamide is CN(C(=O)Cc1ccc(Br)c(F)c1)C1CC1.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)-N-cyclopropyl-N-methylacetamide?
The InChIKey is UJDGYJSRQFVRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO/c1-15(9-3-4-9)12(16)7-8-2-5-10(13)11(14)6-8/h2,5-6,9H,3-4,7H2,1H3.
What are the key properties of 2-(4-bromo-3-fluorophenyl)-N-cyclopropyl-N-methylacetamide?
2-(4-bromo-3-fluorophenyl)-N-cyclopropyl-N-methylacetamide has a molecular weight of 286.14 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenyl)-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 176515895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).