2-[9-[(2-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide

C18H24FN3O2 — CID 70754294

IUPAC2-[9-[(2-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
SMILESNC(=O)CN1CC2(CCC1=O)CCN(Cc1ccccc1F)CC2
InChIInChI=1S/C18H24FN3O2/c19-15-4-2-1-3-14(15)11-21-9-7-18(8-10-21)6-5-17(24)22(13-18)12-16(20)23/h1-4H,5-13H2,(H2,20,23)
InChIKeyMCPZAXHWXDHCTI-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.52
Rot. Bonds4

About 2-[9-[(2-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide

2-[9-[(2-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide (PubChem CID 70754294) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[9-[(2-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide.

Molecular Properties

Compound Name2-[9-[(2-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
PubChem CID70754294
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name2-[9-[(2-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
SMILESNC(=O)CN1CC2(CCC1=O)CCN(Cc1ccccc1F)CC2
InChIInChI=1S/C18H24FN3O2/c19-15-4-2-1-3-14(15)11-21-9-7-18(8-10-21)6-5-17(24)22(13-18)12-16(20)23/h1-4H,5-13H2,(H2,20,23)
InChIKeyMCPZAXHWXDHCTI-UHFFFAOYSA-N
XLogP1.52
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(2,3-difluorophenyl)methyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70781347
2-[9-[(1-ethylpyrazol-3-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
CID 70769966
2-[3-oxo-9-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
CID 97132203
1-[7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one
CID 97411931
2-[9-[(3-hydroxy-4-methoxyphenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
CID 70717213
2-[9-[(2R)-3-hydroxy-2-methylpropyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
CID 72916174
2-(2-hydroxyethyl)-9-[(2-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70760143
2-(3-hydroxypropyl)-9-[(2,3,4-trifluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70757156
9-[(3-chloro-2-fluorophenyl)methyl]-2-[(2R)-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97148997
(2R)-2-[2-[(2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)methyl]phenoxy]propanoic acid
CID 97152498
8-[(2-fluorophenyl)methyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98895518
1-[(2-fluorophenyl)methyl]-3-phenylpyrrolidine-3-carboxamide
CID 127266063

Frequently Asked Questions

What is the IUPAC name of 2-[9-[(2-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
The IUPAC name of 2-[9-[(2-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide (CID 70754294) is 2-[9-[(2-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide.
What is the SMILES notation for 2-[9-[(2-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
The canonical SMILES for 2-[9-[(2-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide is NC(=O)CN1CC2(CCC1=O)CCN(Cc1ccccc1F)CC2.
What is the InChIKey of 2-[9-[(2-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
The InChIKey is MCPZAXHWXDHCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c19-15-4-2-1-3-14(15)11-21-9-7-18(8-10-21)6-5-17(24)22(13-18)12-16(20)23/h1-4H,5-13H2,(H2,20,23).
What are the key properties of 2-[9-[(2-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
2-[9-[(2-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide has a molecular weight of 333.41 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[(2-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide is sourced from PubChem (CID 70754294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).