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

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Related Compounds

2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-phenylpropanamide;hydrochloride
CID 120591605
2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylpropanamide
CID 120587017
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-(methylamino)acetamide
CID 119773520
2-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)-2-phenylpropanamide
CID 120592079
2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol
CID 115927474
2-amino-N-cycloheptyl-2-phenylpropanamide;hydrochloride
CID 120586523
2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-cyclopropylpropanamide
CID 103721645
2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide
CID 119746692
1-[(4-bromo-2,3-dihydro-1H-inden-1-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122000501
N-[(2S)-1-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 94728342
4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63272138
2-amino-N-(3,5-dimethylcyclohexyl)-2-phenylpropanamide
CID 64732725

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).