2-[9-[(2-chloro-5-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide

C18H23ClFN3O2 — CID 70759764

IUPAC2-[9-[(2-chloro-5-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
SMILESNC(=O)CN1CC2(CCC1=O)CCN(Cc1cc(F)ccc1Cl)CC2
InChIInChI=1S/C18H23ClFN3O2/c19-15-2-1-14(20)9-13(15)10-22-7-5-18(6-8-22)4-3-17(25)23(12-18)11-16(21)24/h1-2,9H,3-8,10-12H2,(H2,21,24)
InChIKeyOXXGAVPXQPIPSZ-UHFFFAOYSA-N
MW367.85 g/mol
LogP2.17
Rot. Bonds4

About 2-[9-[(2-chloro-5-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide

2-[9-[(2-chloro-5-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide (PubChem CID 70759764) has the molecular formula C18H23ClFN3O2 and a molecular weight of 367.85 g/mol. Its IUPAC name is 2-[9-[(2-chloro-5-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide.

Molecular Properties

Compound Name2-[9-[(2-chloro-5-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
PubChem CID70759764
Molecular FormulaC18H23ClFN3O2
Molecular Weight367.85 g/mol
Exact Mass367.15
IUPAC Name2-[9-[(2-chloro-5-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
SMILESNC(=O)CN1CC2(CCC1=O)CCN(Cc1cc(F)ccc1Cl)CC2
InChIInChI=1S/C18H23ClFN3O2/c19-15-2-1-14(20)9-13(15)10-22-7-5-18(6-8-22)4-3-17(25)23(12-18)11-16(21)24/h1-2,9H,3-8,10-12H2,(H2,21,24)
InChIKeyOXXGAVPXQPIPSZ-UHFFFAOYSA-N
XLogP2.17
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-1-(phenylmethyl)prolinamide
CID 49864914
1'-(2-Chlorobenzyl)-1,4'-bipiperidine-4'-carboxamide
CID 1860675
1-(2-Chloro-4-fluorobenzyl)-4-(3-phenylpropanoyl)piperazine
CID 2970236
N-[(2-chloro-4-fluorophenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 5165086
N-(tert-butyl)-2-[1-(2-chloro-6-fluorobenzyl)-3-oxopiperazin-2-yl]acetamide
CID 16190035
2-[1-(2-chloro-6-fluorobenzyl)-3-oxo-2-piperazinyl]-N-ethyl-N-(2-methyl-2-propen-1-yl)acetamide
CID 16191887
2-[1-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-cyclooctylacetamide
CID 24790626
N-[1-(4-chlorobenzyl)-3-piperidyl]-3-(2-ketopiperidino)propionamide
CID 24817686
(2S)-1-acetyl-N-[(2-chloro-4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 49865010
(2S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide
CID 49865055
(R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-1-(3-chlorobenzyl)piperazin-2-one
CID 54581584
(R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-1-(2-chlorobenzyl)piperazin-2-one
CID 54586435

Frequently Asked Questions

What is the IUPAC name of 2-[9-[(2-chloro-5-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
The IUPAC name of 2-[9-[(2-chloro-5-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide (CID 70759764) is 2-[9-[(2-chloro-5-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide.
What is the SMILES notation for 2-[9-[(2-chloro-5-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
The canonical SMILES for 2-[9-[(2-chloro-5-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide is NC(=O)CN1CC2(CCC1=O)CCN(Cc1cc(F)ccc1Cl)CC2.
What is the InChIKey of 2-[9-[(2-chloro-5-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
The InChIKey is OXXGAVPXQPIPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClFN3O2/c19-15-2-1-14(20)9-13(15)10-22-7-5-18(6-8-22)4-3-17(25)23(12-18)11-16(21)24/h1-2,9H,3-8,10-12H2,(H2,21,24).
What are the key properties of 2-[9-[(2-chloro-5-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
2-[9-[(2-chloro-5-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide has a molecular weight of 367.85 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[(2-chloro-5-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide is sourced from PubChem (CID 70759764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).