2-(3-fluoroazetidin-1-yl)-2-(4-fluorophenyl)-N-[(1R,2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide

C21H22F2N2O2 — CID 130277316

IUPAC2-(3-fluoroazetidin-1-yl)-2-(4-fluorophenyl)-N-[(1R,2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide
SMILESCO[C@@H]1c2ccccc2C[C@H]1NC(=O)C(c1ccc(F)cc1)N1CC(F)C1
InChIInChI=1S/C21H22F2N2O2/c1-27-20-17-5-3-2-4-14(17)10-18(20)24-21(26)19(25-11-16(23)12-25)13-6-8-15(22)9-7-13/h2-9,16,18-20H,10-12H2,1H3,(H,24,26)/t18-,19?,20-/m1/s1
InChIKeyRMMSBYZILFFWIG-YSSMNDQQSA-N
MW372.42 g/mol
LogP2.95
Rot. Bonds5

About 2-(3-fluoroazetidin-1-yl)-2-(4-fluorophenyl)-N-[(1R,2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide

2-(3-fluoroazetidin-1-yl)-2-(4-fluorophenyl)-N-[(1R,2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide (PubChem CID 130277316) has the molecular formula C21H22F2N2O2 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-(3-fluoroazetidin-1-yl)-2-(4-fluorophenyl)-N-[(1R,2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-fluoroazetidin-1-yl)-2-(4-fluorophenyl)-N-[(1R,2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide
PubChem CID130277316
Molecular FormulaC21H22F2N2O2
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name2-(3-fluoroazetidin-1-yl)-2-(4-fluorophenyl)-N-[(1R,2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide
SMILESCO[C@@H]1c2ccccc2C[C@H]1NC(=O)C(c1ccc(F)cc1)N1CC(F)C1
InChIInChI=1S/C21H22F2N2O2/c1-27-20-17-5-3-2-4-14(17)10-18(20)24-21(26)19(25-11-16(23)12-25)13-6-8-15(22)9-7-13/h2-9,16,18-20H,10-12H2,1H3,(H,24,26)/t18-,19?,20-/m1/s1
InChIKeyRMMSBYZILFFWIG-YSSMNDQQSA-N
XLogP2.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroazetidin-1-yl)-2-(4-fluorophenyl)-N-[(1R,2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide?
The IUPAC name of 2-(3-fluoroazetidin-1-yl)-2-(4-fluorophenyl)-N-[(1R,2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide (CID 130277316) is 2-(3-fluoroazetidin-1-yl)-2-(4-fluorophenyl)-N-[(1R,2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide.
What is the SMILES notation for 2-(3-fluoroazetidin-1-yl)-2-(4-fluorophenyl)-N-[(1R,2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide?
The canonical SMILES for 2-(3-fluoroazetidin-1-yl)-2-(4-fluorophenyl)-N-[(1R,2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide is CO[C@@H]1c2ccccc2C[C@H]1NC(=O)C(c1ccc(F)cc1)N1CC(F)C1.
What is the InChIKey of 2-(3-fluoroazetidin-1-yl)-2-(4-fluorophenyl)-N-[(1R,2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide?
The InChIKey is RMMSBYZILFFWIG-YSSMNDQQSA-N. The full InChI is InChI=1S/C21H22F2N2O2/c1-27-20-17-5-3-2-4-14(17)10-18(20)24-21(26)19(25-11-16(23)12-25)13-6-8-15(22)9-7-13/h2-9,16,18-20H,10-12H2,1H3,(H,24,26)/t18-,19?,20-/m1/s1.
What are the key properties of 2-(3-fluoroazetidin-1-yl)-2-(4-fluorophenyl)-N-[(1R,2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide?
2-(3-fluoroazetidin-1-yl)-2-(4-fluorophenyl)-N-[(1R,2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide has a molecular weight of 372.42 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroazetidin-1-yl)-2-(4-fluorophenyl)-N-[(1R,2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide is sourced from PubChem (CID 130277316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).