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

C16H23BrN2O — CID 61069531

IUPAC3-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC1CCc2cc(Br)ccc21
InChIInChI=1S/C16H23BrN2O/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
InChIKeyATWYEXODMDWYHN-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.28
Rot. Bonds6

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

3-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide (PubChem CID 61069531) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 3-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
PubChem CID61069531
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name3-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC1CCc2cc(Br)ccc21
InChIInChI=1S/C16H23BrN2O/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
InChIKeyATWYEXODMDWYHN-UHFFFAOYSA-N
XLogP3.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
CID 81321990
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
CID 79731461
N,N-diethyl-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 107682624
5-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 115894121
2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylethanesulfonamide
CID 102676098
N-[4-[[[(1S)-5-bromo-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]acetamide
CID 52510873
3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-propylpropanamide
CID 107682295
N-ethyl-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 116531134
3-(3,4-dihydro-1H-isothiochromen-4-ylamino)-N,N-diethylpropanamide
CID 60926520
2-[[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenol
CID 115603168
methyl 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 116530837
3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,N-diethylpropanamide
CID 60925842

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide?
The IUPAC name of 3-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide (CID 61069531) is 3-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNC1CCc2cc(Br)ccc21.
What is the InChIKey of 3-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide?
The InChIKey is ATWYEXODMDWYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/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-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide?
3-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide has a molecular weight of 339.28 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide is sourced from PubChem (CID 61069531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).