2-amino-N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-phenylpropanamide

C18H19BrN2O — CID 120591629

IUPAC2-amino-N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-phenylpropanamide
SMILESCC(N)(C(=O)NC1CCc2c(Br)cccc21)c1ccccc1
InChIInChI=1S/C18H19BrN2O/c1-18(20,12-6-3-2-4-7-12)17(22)21-16-11-10-13-14(16)8-5-9-15(13)19/h2-9,16H,10-11,20H2,1H3,(H,21,22)
InChIKeyUVHSDTPOLYIKAF-UHFFFAOYSA-N
MW359.27 g/mol
LogP3.43
Rot. Bonds3

About 2-amino-N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-phenylpropanamide

2-amino-N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-phenylpropanamide (PubChem CID 120591629) has the molecular formula C18H19BrN2O and a molecular weight of 359.27 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-phenylpropanamide
PubChem CID120591629
Molecular FormulaC18H19BrN2O
Molecular Weight359.27 g/mol
Exact Mass358.07
IUPAC Name2-amino-N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-phenylpropanamide
SMILESCC(N)(C(=O)NC1CCc2c(Br)cccc21)c1ccccc1
InChIInChI=1S/C18H19BrN2O/c1-18(20,12-6-3-2-4-7-12)17(22)21-16-11-10-13-14(16)8-5-9-15(13)19/h2-9,16H,10-11,20H2,1H3,(H,21,22)
InChIKeyUVHSDTPOLYIKAF-UHFFFAOYSA-N
XLogP3.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-phenylpropanamide 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-amino-N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-phenylpropanamide?
The IUPAC name of 2-amino-N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-phenylpropanamide (CID 120591629) is 2-amino-N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-phenylpropanamide is CC(N)(C(=O)NC1CCc2c(Br)cccc21)c1ccccc1.
What is the InChIKey of 2-amino-N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-phenylpropanamide?
The InChIKey is UVHSDTPOLYIKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O/c1-18(20,12-6-3-2-4-7-12)17(22)21-16-11-10-13-14(16)8-5-9-15(13)19/h2-9,16H,10-11,20H2,1H3,(H,21,22).
What are the key properties of 2-amino-N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-phenylpropanamide?
2-amino-N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-phenylpropanamide has a molecular weight of 359.27 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-phenylpropanamide is sourced from PubChem (CID 120591629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).