2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-cyclopropylpropanamide

C15H19BrN2O — CID 103721645

IUPAC2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-cyclopropylpropanamide
SMILESCC(NC1CCc2c(Br)cccc21)C(=O)NC1CC1
InChIInChI=1S/C15H19BrN2O/c1-9(15(19)18-10-5-6-10)17-14-8-7-11-12(14)3-2-4-13(11)16/h2-4,9-10,14,17H,5-8H2,1H3,(H,18,19)
InChIKeyVYGAKYNNTXRVCT-UHFFFAOYSA-N
MW323.23 g/mol
LogP2.69
Rot. Bonds4

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

2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-cyclopropylpropanamide (PubChem CID 103721645) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-cyclopropylpropanamide
PubChem CID103721645
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-cyclopropylpropanamide
SMILESCC(NC1CCc2c(Br)cccc21)C(=O)NC1CC1
InChIInChI=1S/C15H19BrN2O/c1-9(15(19)18-10-5-6-10)17-14-8-7-11-12(14)3-2-4-13(11)16/h2-4,9-10,14,17H,5-8H2,1H3,(H,18,19)
InChIKeyVYGAKYNNTXRVCT-UHFFFAOYSA-N
XLogP2.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-cyclopropylpropanamide 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-[(2S)-1-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 94728342
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide
CID 81327848
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-(methylamino)acetamide
CID 119773520
N-cyclopropyl-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 112696340
4-bromo-N-(1-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 103901794
2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol
CID 115927474
4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63272138
2-amino-N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-phenylpropanamide
CID 120591629
methyl 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 103917115
4-bromo-N-cyclopent-3-en-1-yl-2,3-dihydro-1H-inden-1-amine
CID 115763577
(2S)-2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-phenylpropan-1-ol
CID 102613765
1-(4-bromo-2,3-dihydro-1H-inden-1-yl)-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 86886139

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-cyclopropylpropanamide?
The IUPAC name of 2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-cyclopropylpropanamide (CID 103721645) is 2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-cyclopropylpropanamide is CC(NC1CCc2c(Br)cccc21)C(=O)NC1CC1.
What is the InChIKey of 2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-cyclopropylpropanamide?
The InChIKey is VYGAKYNNTXRVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-9(15(19)18-10-5-6-10)17-14-8-7-11-12(14)3-2-4-13(11)16/h2-4,9-10,14,17H,5-8H2,1H3,(H,18,19).
What are the key properties of 2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-cyclopropylpropanamide?
2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-cyclopropylpropanamide has a molecular weight of 323.23 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-cyclopropylpropanamide is sourced from PubChem (CID 103721645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).