N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(azetidin-1-yl)-2-(2-fluoro-4-methylphenyl)acetamide

C21H24FN3O — CID 163732641

IUPACN-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(azetidin-1-yl)-2-(2-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(C(C(=O)N[C@H]2Cc3ccccc3[C@@H]2N)N2CCC2)c(F)c1
InChIInChI=1S/C21H24FN3O/c1-13-7-8-16(17(22)11-13)20(25-9-4-10-25)21(26)24-18-12-14-5-2-3-6-15(14)19(18)23/h2-3,5-8,11,18-20H,4,9-10,12,23H2,1H3,(H,24,26)/t18-,19-,20?/m0/s1
InChIKeyLAXJQFZAUWWWED-NFBCFJMWSA-N
MW353.44 g/mol
LogP2.62
Rot. Bonds4

About N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(azetidin-1-yl)-2-(2-fluoro-4-methylphenyl)acetamide

N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(azetidin-1-yl)-2-(2-fluoro-4-methylphenyl)acetamide (PubChem CID 163732641) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(azetidin-1-yl)-2-(2-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(azetidin-1-yl)-2-(2-fluoro-4-methylphenyl)acetamide
PubChem CID163732641
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC NameN-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(azetidin-1-yl)-2-(2-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(C(C(=O)N[C@H]2Cc3ccccc3[C@@H]2N)N2CCC2)c(F)c1
InChIInChI=1S/C21H24FN3O/c1-13-7-8-16(17(22)11-13)20(25-9-4-10-25)21(26)24-18-12-14-5-2-3-6-15(14)19(18)23/h2-3,5-8,11,18-20H,4,9-10,12,23H2,1H3,(H,24,26)/t18-,19-,20?/m0/s1
InChIKeyLAXJQFZAUWWWED-NFBCFJMWSA-N
XLogP2.62
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(azetidin-1-yl)-2-(2-fluoro-4-methylphenyl)acetamide 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 N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(azetidin-1-yl)-2-(2-fluoro-4-methylphenyl)acetamide?
The IUPAC name of N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(azetidin-1-yl)-2-(2-fluoro-4-methylphenyl)acetamide (CID 163732641) is N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(azetidin-1-yl)-2-(2-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(azetidin-1-yl)-2-(2-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(azetidin-1-yl)-2-(2-fluoro-4-methylphenyl)acetamide is Cc1ccc(C(C(=O)N[C@H]2Cc3ccccc3[C@@H]2N)N2CCC2)c(F)c1.
What is the InChIKey of N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(azetidin-1-yl)-2-(2-fluoro-4-methylphenyl)acetamide?
The InChIKey is LAXJQFZAUWWWED-NFBCFJMWSA-N. The full InChI is InChI=1S/C21H24FN3O/c1-13-7-8-16(17(22)11-13)20(25-9-4-10-25)21(26)24-18-12-14-5-2-3-6-15(14)19(18)23/h2-3,5-8,11,18-20H,4,9-10,12,23H2,1H3,(H,24,26)/t18-,19-,20?/m0/s1.
What are the key properties of N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(azetidin-1-yl)-2-(2-fluoro-4-methylphenyl)acetamide?
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(azetidin-1-yl)-2-(2-fluoro-4-methylphenyl)acetamide has a molecular weight of 353.44 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(azetidin-1-yl)-2-(2-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 163732641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).