N-[(2-fluorophenyl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide

C17H20FNO3 — CID 56730546

IUPACN-[(2-fluorophenyl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESO=C1CC(C(=O)NCc2ccccc2F)C2(CCCCC2)O1
InChIInChI=1S/C17H20FNO3/c18-14-7-3-2-6-12(14)11-19-16(21)13-10-15(20)22-17(13)8-4-1-5-9-17/h2-3,6-7,13H,1,4-5,8-11H2,(H,19,21)
InChIKeyKHBKKNFEZYICFF-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.71
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide

N-[(2-fluorophenyl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (PubChem CID 56730546) has the molecular formula C17H20FNO3 and a molecular weight of 305.35 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
PubChem CID56730546
Molecular FormulaC17H20FNO3
Molecular Weight305.35 g/mol
Exact Mass305.14
IUPAC NameN-[(2-fluorophenyl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESO=C1CC(C(=O)NCc2ccccc2F)C2(CCCCC2)O1
InChIInChI=1S/C17H20FNO3/c18-14-7-3-2-6-12(14)11-19-16(21)13-10-15(20)22-17(13)8-4-1-5-9-17/h2-3,6-7,13H,1,4-5,8-11H2,(H,19,21)
InChIKeyKHBKKNFEZYICFF-UHFFFAOYSA-N
XLogP2.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzothiazol-7-ylmethyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 164695892
N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 155910918
(4R)-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 125435695
(4R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 125157021
N-[2-(1-methylpyrrol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 131927808
1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 47091719
N-[(5-methyl-2H-indazol-3-yl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 118796001
(4R,5S)-N-benzyl-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
CID 907016
(1'S,2R,5'S,6'R)-N-[(2-fluorophenyl)methyl]-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide
CID 98059416
(3S)-N-[(2-fluorophenyl)methyl]-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 93019161
N-[(2-fluorophenyl)methyl]oxolane-3-carboxamide
CID 47443507
N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 55176835

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (CID 56730546) is N-[(2-fluorophenyl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide is O=C1CC(C(=O)NCc2ccccc2F)C2(CCCCC2)O1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The InChIKey is KHBKKNFEZYICFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3/c18-14-7-3-2-6-12(14)11-19-16(21)13-10-15(20)22-17(13)8-4-1-5-9-17/h2-3,6-7,13H,1,4-5,8-11H2,(H,19,21).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
N-[(2-fluorophenyl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide has a molecular weight of 305.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 56730546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).