3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide

C16H23ClN2O — CID 81321990

IUPAC3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC1CCc2cc(Cl)ccc21
InChIInChI=1S/C16H23ClN2O/c1-3-19(4-2)16(20)9-10-18-15-8-5-12-11-13(17)6-7-14(12)15/h6-7,11,15,18H,3-5,8-10H2,1-2H3
InChIKeyQFFZHTPUWGRUFG-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.18
Rot. Bonds6

About 3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide

3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide (PubChem CID 81321990) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
PubChem CID81321990
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC1CCc2cc(Cl)ccc21
InChIInChI=1S/C16H23ClN2O/c1-3-19(4-2)16(20)9-10-18-15-8-5-12-11-13(17)6-7-14(12)15/h6-7,11,15,18H,3-5,8-10H2,1-2H3
InChIKeyQFFZHTPUWGRUFG-UHFFFAOYSA-N
XLogP3.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide 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 3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide?
The IUPAC name of 3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide (CID 81321990) is 3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNC1CCc2cc(Cl)ccc21.
What is the InChIKey of 3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide?
The InChIKey is QFFZHTPUWGRUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-3-19(4-2)16(20)9-10-18-15-8-5-12-11-13(17)6-7-14(12)15/h6-7,11,15,18H,3-5,8-10H2,1-2H3.
What are the key properties of 3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide?
3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide has a molecular weight of 294.83 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide is sourced from PubChem (CID 81321990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).