2-[[(1S,2S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentyl]amino]acetamide

C20H23FN2O2 — CID 90489760

IUPAC2-[[(1S,2S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentyl]amino]acetamide
SMILESNC(=O)CN[C@H]1CCC[C@H]1c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C20H23FN2O2/c21-18-6-2-1-4-15(18)13-25-16-10-8-14(9-11-16)17-5-3-7-19(17)23-12-20(22)24/h1-2,4,6,8-11,17,19,23H,3,5,7,12-13H2,(H2,22,24)/t17-,19-/m0/s1
InChIKeyJKPDOKQWBDGWGR-HKUYNNGSSA-N
MW342.41 g/mol
LogP3.12
Rot. Bonds7

About 2-[[(1S,2S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentyl]amino]acetamide

2-[[(1S,2S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentyl]amino]acetamide (PubChem CID 90489760) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-[[(1S,2S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentyl]amino]acetamide.

Molecular Properties

Compound Name2-[[(1S,2S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentyl]amino]acetamide
PubChem CID90489760
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name2-[[(1S,2S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentyl]amino]acetamide
SMILESNC(=O)CN[C@H]1CCC[C@H]1c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C20H23FN2O2/c21-18-6-2-1-4-15(18)13-25-16-10-8-14(9-11-16)17-5-3-7-19(17)23-12-20(22)24/h1-2,4,6,8-11,17,19,23H,3,5,7,12-13H2,(H2,22,24)/t17-,19-/m0/s1
InChIKeyJKPDOKQWBDGWGR-HKUYNNGSSA-N
XLogP3.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,2S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentyl]amino]acetamide?
The IUPAC name of 2-[[(1S,2S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentyl]amino]acetamide (CID 90489760) is 2-[[(1S,2S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentyl]amino]acetamide.
What is the SMILES notation for 2-[[(1S,2S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentyl]amino]acetamide?
The canonical SMILES for 2-[[(1S,2S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentyl]amino]acetamide is NC(=O)CN[C@H]1CCC[C@H]1c1ccc(OCc2ccccc2F)cc1.
What is the InChIKey of 2-[[(1S,2S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentyl]amino]acetamide?
The InChIKey is JKPDOKQWBDGWGR-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-18-6-2-1-4-15(18)13-25-16-10-8-14(9-11-16)17-5-3-7-19(17)23-12-20(22)24/h1-2,4,6,8-11,17,19,23H,3,5,7,12-13H2,(H2,22,24)/t17-,19-/m0/s1.
What are the key properties of 2-[[(1S,2S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentyl]amino]acetamide?
2-[[(1S,2S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentyl]amino]acetamide has a molecular weight of 342.41 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,2S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentyl]amino]acetamide is sourced from PubChem (CID 90489760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).