2-(azetidin-1-yl)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)propanamide

C16H19FN2O2 — CID 167514581

IUPAC2-(azetidin-1-yl)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)propanamide
SMILESCC(C(=O)Nc1cc(F)c2c(c1)CC(C=O)C2)N1CCC1
InChIInChI=1S/C16H19FN2O2/c1-10(19-3-2-4-19)16(21)18-13-7-12-5-11(9-20)6-14(12)15(17)8-13/h7-11H,2-6H2,1H3,(H,18,21)
InChIKeyJEXOPIRWGYIKMP-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.77
Rot. Bonds4

About 2-(azetidin-1-yl)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)propanamide

2-(azetidin-1-yl)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)propanamide (PubChem CID 167514581) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)propanamide.

Molecular Properties

Compound Name2-(azetidin-1-yl)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)propanamide
PubChem CID167514581
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name2-(azetidin-1-yl)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)propanamide
SMILESCC(C(=O)Nc1cc(F)c2c(c1)CC(C=O)C2)N1CCC1
InChIInChI=1S/C16H19FN2O2/c1-10(19-3-2-4-19)16(21)18-13-7-12-5-11(9-20)6-14(12)15(17)8-13/h7-11H,2-6H2,1H3,(H,18,21)
InChIKeyJEXOPIRWGYIKMP-UHFFFAOYSA-N
XLogP1.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-(azetidin-1-yl)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)propanamide 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

(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylpropanamide
CID 9275055
2-(azepan-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide
CID 46630970
2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
CID 46630888
(2S)-2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
CID 9249876
(2R)-2-(4-butanoyl-1,4-diazepan-1-yl)-N-(3,4-difluorophenyl)propanamide
CID 52503097
2-(4-butanoyl-1,4-diazepan-1-yl)-N-(3,4-difluorophenyl)propanamide
CID 47068776
N-(3,4-difluorophenyl)-2-morpholin-4-ylpropanamide
CID 46630811
1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907159
(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 9444041
N-(3,4-difluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 60500653
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
N-(4-fluorophenyl)-2-piperazin-1-ylpropanamide
CID 43089583

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)propanamide?
The IUPAC name of 2-(azetidin-1-yl)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)propanamide (CID 167514581) is 2-(azetidin-1-yl)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)propanamide.
What is the SMILES notation for 2-(azetidin-1-yl)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)propanamide?
The canonical SMILES for 2-(azetidin-1-yl)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)propanamide is CC(C(=O)Nc1cc(F)c2c(c1)CC(C=O)C2)N1CCC1.
What is the InChIKey of 2-(azetidin-1-yl)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)propanamide?
The InChIKey is JEXOPIRWGYIKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-10(19-3-2-4-19)16(21)18-13-7-12-5-11(9-20)6-14(12)15(17)8-13/h7-11H,2-6H2,1H3,(H,18,21).
What are the key properties of 2-(azetidin-1-yl)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)propanamide?
2-(azetidin-1-yl)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)propanamide has a molecular weight of 290.34 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-N-(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)propanamide is sourced from PubChem (CID 167514581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).