2-[9-[(4-chloro-3-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide

C18H23ClFN3O2 — CID 70755740

IUPAC2-[9-[(4-chloro-3-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
SMILESNC(=O)CN1CC2(CCC1=O)CCN(Cc1ccc(Cl)c(F)c1)CC2
InChIInChI=1S/C18H23ClFN3O2/c19-14-2-1-13(9-15(14)20)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)
InChIKeyBYYNSORSUBGQBA-UHFFFAOYSA-N
MW367.85 g/mol
LogP2.17
Rot. Bonds4

About 2-[9-[(4-chloro-3-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide

2-[9-[(4-chloro-3-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide (PubChem CID 70755740) has the molecular formula C18H23ClFN3O2 and a molecular weight of 367.85 g/mol. Its IUPAC name is 2-[9-[(4-chloro-3-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide.

Molecular Properties

Compound Name2-[9-[(4-chloro-3-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
PubChem CID70755740
Molecular FormulaC18H23ClFN3O2
Molecular Weight367.85 g/mol
Exact Mass367.15
IUPAC Name2-[9-[(4-chloro-3-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
SMILESNC(=O)CN1CC2(CCC1=O)CCN(Cc1ccc(Cl)c(F)c1)CC2
InChIInChI=1S/C18H23ClFN3O2/c19-14-2-1-13(9-15(14)20)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)
InChIKeyBYYNSORSUBGQBA-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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Frequently Asked Questions

What is the IUPAC name of 2-[9-[(4-chloro-3-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
The IUPAC name of 2-[9-[(4-chloro-3-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide (CID 70755740) is 2-[9-[(4-chloro-3-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide.
What is the SMILES notation for 2-[9-[(4-chloro-3-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
The canonical SMILES for 2-[9-[(4-chloro-3-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide is NC(=O)CN1CC2(CCC1=O)CCN(Cc1ccc(Cl)c(F)c1)CC2.
What is the InChIKey of 2-[9-[(4-chloro-3-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
The InChIKey is BYYNSORSUBGQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClFN3O2/c19-14-2-1-13(9-15(14)20)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-[(4-chloro-3-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
2-[9-[(4-chloro-3-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-[(4-chloro-3-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide is sourced from PubChem (CID 70755740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).