[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate

C22H20BrNO3 — CID 4832074

IUPAC[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
SMILESCCN(C(=O)COC(=O)Cc1ccc(Br)cc1)c1cccc2ccccc12
InChIInChI=1S/C22H20BrNO3/c1-2-24(20-9-5-7-17-6-3-4-8-19(17)20)21(25)15-27-22(26)14-16-10-12-18(23)13-11-16/h3-13H,2,14-15H2,1H3
InChIKeyNPKSKFOZCNFTNW-UHFFFAOYSA-N
MW426.31 g/mol
LogP4.74
Rot. Bonds6

About [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate

[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate (PubChem CID 4832074) has the molecular formula C22H20BrNO3 and a molecular weight of 426.31 g/mol. Its IUPAC name is [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate.

Molecular Properties

Compound Name[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
PubChem CID4832074
Molecular FormulaC22H20BrNO3
Molecular Weight426.31 g/mol
Exact Mass425.06
IUPAC Name[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
SMILESCCN(C(=O)COC(=O)Cc1ccc(Br)cc1)c1cccc2ccccc12
InChIInChI=1S/C22H20BrNO3/c1-2-24(20-9-5-7-17-6-3-4-8-19(17)20)21(25)15-27-22(26)14-16-10-12-18(23)13-11-16/h3-13H,2,14-15H2,1H3
InChIKeyNPKSKFOZCNFTNW-UHFFFAOYSA-N
XLogP4.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.31
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate?
The IUPAC name of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate (CID 4832074) is [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate.
What is the SMILES notation for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate?
The canonical SMILES for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate is CCN(C(=O)COC(=O)Cc1ccc(Br)cc1)c1cccc2ccccc12.
What is the InChIKey of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate?
The InChIKey is NPKSKFOZCNFTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrNO3/c1-2-24(20-9-5-7-17-6-3-4-8-19(17)20)21(25)15-27-22(26)14-16-10-12-18(23)13-11-16/h3-13H,2,14-15H2,1H3.
What are the key properties of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate?
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate has a molecular weight of 426.31 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate is sourced from PubChem (CID 4832074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).