2-(4-bromo-2-fluoro-N-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

C19H21BrFN3O3S — CID 60585244

IUPAC2-(4-bromo-2-fluoro-N-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(Br)cc1F
InChIInChI=1S/C19H21BrFN3O3S/c1-23(18-8-7-14(20)11-17(18)21)13-19(25)22-15-5-4-6-16(12-15)28(26,27)24-9-2-3-10-24/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,22,25)
InChIKeySKSCBCUUAWLBBQ-UHFFFAOYSA-N
MW470.36 g/mol
LogP3.45
Rot. Bonds6

About 2-(4-bromo-2-fluoro-N-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(4-bromo-2-fluoro-N-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 60585244) has the molecular formula C19H21BrFN3O3S and a molecular weight of 470.36 g/mol. Its IUPAC name is 2-(4-bromo-2-fluoro-N-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluoro-N-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID60585244
Molecular FormulaC19H21BrFN3O3S
Molecular Weight470.36 g/mol
Exact Mass469.05
IUPAC Name2-(4-bromo-2-fluoro-N-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(Br)cc1F
InChIInChI=1S/C19H21BrFN3O3S/c1-23(18-8-7-14(20)11-17(18)21)13-19(25)22-15-5-4-6-16(12-15)28(26,27)24-9-2-3-10-24/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,22,25)
InChIKeySKSCBCUUAWLBBQ-UHFFFAOYSA-N
XLogP3.45
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromo-2-fluoro-N-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)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

N-(3-fluorophenyl)-2-(N-methyl-2-nitro-4-piperidin-1-ylsulfonylanilino)acetamide
CID 26453659
3-[methyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]amino]propanoic acid
CID 119911319
2-(4-bromo-2-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 46797807
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8692183
2-[(4-bromophenyl)methylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 112781729
(3S)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 9073638
2-[(3-methoxyphenyl)methyl-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8794719
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4845327
2-[(2-methoxyphenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4786767
N-(3-fluorophenyl)-2-(N-methyl-4-nitro-2-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 25336344
2-piperidin-1-ium-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8894737

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluoro-N-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-fluoro-N-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 60585244) is 2-(4-bromo-2-fluoro-N-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluoro-N-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-fluoro-N-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluoro-N-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is SKSCBCUUAWLBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrFN3O3S/c1-23(18-8-7-14(20)11-17(18)21)13-19(25)22-15-5-4-6-16(12-15)28(26,27)24-9-2-3-10-24/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,22,25).
What are the key properties of 2-(4-bromo-2-fluoro-N-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(4-bromo-2-fluoro-N-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 470.36 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluoro-N-methylanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 60585244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).