3-amino-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide

C13H17FN2O — CID 119745353

IUPAC3-amino-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide
SMILESCC(N)CC(=O)NC1CCc2cc(F)ccc21
InChIInChI=1S/C13H17FN2O/c1-8(15)6-13(17)16-12-5-2-9-7-10(14)3-4-11(9)12/h3-4,7-8,12H,2,5-6,15H2,1H3,(H,16,17)
InChIKeyRVZAKFYOVPFZRK-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.67
Rot. Bonds3

About 3-amino-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide

3-amino-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide (PubChem CID 119745353) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-amino-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide.

Molecular Properties

Compound Name3-amino-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide
PubChem CID119745353
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name3-amino-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide
SMILESCC(N)CC(=O)NC1CCc2cc(F)ccc21
InChIInChI=1S/C13H17FN2O/c1-8(15)6-13(17)16-12-5-2-9-7-10(14)3-4-11(9)12/h3-4,7-8,12H,2,5-6,15H2,1H3,(H,16,17)
InChIKeyRVZAKFYOVPFZRK-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]propanamide
CID 94212219
3-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)butanamide
CID 60837944
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119745334
3-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)butanamide;hydrochloride
CID 119695826
3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-3-oxopropanoic acid
CID 122065402
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60574244
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride
CID 119745340
1-[2,6-di(propan-2-yl)phenyl]-3-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea
CID 97018870
N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutanecarboxamide
CID 94198795
2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentanoic acid
CID 116530988
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438432
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(4-methylphenyl)methyl]urea
CID 60577386

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide?
The IUPAC name of 3-amino-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide (CID 119745353) is 3-amino-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide.
What is the SMILES notation for 3-amino-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide?
The canonical SMILES for 3-amino-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide is CC(N)CC(=O)NC1CCc2cc(F)ccc21.
What is the InChIKey of 3-amino-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide?
The InChIKey is RVZAKFYOVPFZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-8(15)6-13(17)16-12-5-2-9-7-10(14)3-4-11(9)12/h3-4,7-8,12H,2,5-6,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide?
3-amino-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide has a molecular weight of 236.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide is sourced from PubChem (CID 119745353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).