N-[2-(2-bromoanilino)-2-oxoethyl]-3-cyclopentyl-N-methylpropanamide

C17H23BrN2O2 — CID 24818305

IUPACN-[2-(2-bromoanilino)-2-oxoethyl]-3-cyclopentyl-N-methylpropanamide
SMILESCN(CC(=O)Nc1ccccc1Br)C(=O)CCC1CCCC1
InChIInChI=1S/C17H23BrN2O2/c1-20(17(22)11-10-13-6-2-3-7-13)12-16(21)19-15-9-5-4-8-14(15)18/h4-5,8-9,13H,2-3,6-7,10-12H2,1H3,(H,19,21)
InChIKeyJSWHTPRVIRIMSU-UHFFFAOYSA-N
MW367.29 g/mol
LogP3.82
Rot. Bonds6

About N-[2-(2-bromoanilino)-2-oxoethyl]-3-cyclopentyl-N-methylpropanamide

N-[2-(2-bromoanilino)-2-oxoethyl]-3-cyclopentyl-N-methylpropanamide (PubChem CID 24818305) has the molecular formula C17H23BrN2O2 and a molecular weight of 367.29 g/mol. Its IUPAC name is N-[2-(2-bromoanilino)-2-oxoethyl]-3-cyclopentyl-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2-bromoanilino)-2-oxoethyl]-3-cyclopentyl-N-methylpropanamide
PubChem CID24818305
Molecular FormulaC17H23BrN2O2
Molecular Weight367.29 g/mol
Exact Mass366.09
IUPAC NameN-[2-(2-bromoanilino)-2-oxoethyl]-3-cyclopentyl-N-methylpropanamide
SMILESCN(CC(=O)Nc1ccccc1Br)C(=O)CCC1CCCC1
InChIInChI=1S/C17H23BrN2O2/c1-20(17(22)11-10-13-6-2-3-7-13)12-16(21)19-15-9-5-4-8-14(15)18/h4-5,8-9,13H,2-3,6-7,10-12H2,1H3,(H,19,21)
InChIKeyJSWHTPRVIRIMSU-UHFFFAOYSA-N
XLogP3.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(2-bromoanilino)-2-oxoethyl]-3-cyclopentyl-N-methylpropanamide 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-bromophenyl)-2-cyclopentylacetamide
CID 2403164
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide
CID 2524258
US10208071, Table 3.3
CID 2622535
N-(2-bromo-4-methylphenyl)-2-cyclopentylacetamide
CID 2707548
(1R,2R,3R,4S)-3-N-(4-bromophenyl)-2-N-[2-(dimethylamino)ethyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67495424
N-(4-bromophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2583729
N-(2-Bromo-phenyl)-2-(4-phenylacetylamino-piperidin-1-yl)-acetamide
CID 3220865
2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide
CID 3932353
2-[[2-(benzhydrylamino)-2-oxoethyl]-methylamino]-N-(2-bromophenyl)acetamide
CID 4781133
N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethylcyclopentanecarboxamide
CID 4787805
2-(4-Bromo-phenylamino)-4-methyl-pentanoic acid cyanomethyl-amide
CID 22236159
2-(2-Bromo-phenylamino)-4-methyl-pentanoic acid cyanomethyl-amide
CID 44393567

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-3-cyclopentyl-N-methylpropanamide?
The IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-3-cyclopentyl-N-methylpropanamide (CID 24818305) is N-[2-(2-bromoanilino)-2-oxoethyl]-3-cyclopentyl-N-methylpropanamide.
What is the SMILES notation for N-[2-(2-bromoanilino)-2-oxoethyl]-3-cyclopentyl-N-methylpropanamide?
The canonical SMILES for N-[2-(2-bromoanilino)-2-oxoethyl]-3-cyclopentyl-N-methylpropanamide is CN(CC(=O)Nc1ccccc1Br)C(=O)CCC1CCCC1.
What is the InChIKey of N-[2-(2-bromoanilino)-2-oxoethyl]-3-cyclopentyl-N-methylpropanamide?
The InChIKey is JSWHTPRVIRIMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O2/c1-20(17(22)11-10-13-6-2-3-7-13)12-16(21)19-15-9-5-4-8-14(15)18/h4-5,8-9,13H,2-3,6-7,10-12H2,1H3,(H,19,21).
What are the key properties of N-[2-(2-bromoanilino)-2-oxoethyl]-3-cyclopentyl-N-methylpropanamide?
N-[2-(2-bromoanilino)-2-oxoethyl]-3-cyclopentyl-N-methylpropanamide has a molecular weight of 367.29 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoanilino)-2-oxoethyl]-3-cyclopentyl-N-methylpropanamide is sourced from PubChem (CID 24818305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).