N-(4-bromo-2-methylphenyl)-2-[[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylamino]acetamide

C20H23BrFN3O2 — CID 46802089

IUPACN-(4-bromo-2-methylphenyl)-2-[[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylamino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)CC(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C20H23BrFN3O2/c1-13-10-16(21)6-9-18(13)24-20(27)12-25(3)11-19(26)23-14(2)15-4-7-17(22)8-5-15/h4-10,14H,11-12H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyLBWROQHKSCWVNG-UHFFFAOYSA-N
MW436.33 g/mol
LogP3.64
Rot. Bonds7

About N-(4-bromo-2-methylphenyl)-2-[[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylamino]acetamide

N-(4-bromo-2-methylphenyl)-2-[[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylamino]acetamide (PubChem CID 46802089) has the molecular formula C20H23BrFN3O2 and a molecular weight of 436.33 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylamino]acetamide
PubChem CID46802089
Molecular FormulaC20H23BrFN3O2
Molecular Weight436.33 g/mol
Exact Mass435.10
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylamino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)CC(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C20H23BrFN3O2/c1-13-10-16(21)6-9-18(13)24-20(27)12-25(3)11-19(26)23-14(2)15-4-7-17(22)8-5-15/h4-10,14H,11-12H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyLBWROQHKSCWVNG-UHFFFAOYSA-N
XLogP3.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.33
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-bromo-2-methylphenyl)-2-[[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylamino]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

2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 31378015
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylpropyl)acetamide
CID 9303536
N-(4-bromo-2-methylphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide
CID 16609224
N-(4-bromo-2-methylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9303478
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133902
N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 9253364
2-[2-aminoethyl(methyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 62687201
2-[methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2120375
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43891555
4-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 31378107
N-(4-bromo-2-methylphenyl)-2-[[(1S)-1-cyanoethyl]-methylamino]acetamide
CID 9303278
N-[1-(4-bromophenyl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683956

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylamino]acetamide (CID 46802089) is N-(4-bromo-2-methylphenyl)-2-[[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylamino]acetamide is Cc1cc(Br)ccc1NC(=O)CN(C)CC(=O)NC(C)c1ccc(F)cc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is LBWROQHKSCWVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrFN3O2/c1-13-10-16(21)6-9-18(13)24-20(27)12-25(3)11-19(26)23-14(2)15-4-7-17(22)8-5-15/h4-10,14H,11-12H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylamino]acetamide?
N-(4-bromo-2-methylphenyl)-2-[[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 436.33 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-[[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 46802089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).