N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2,5-difluorobenzamide

C16H19F2NO3 — CID 99972757

IUPACN-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2,5-difluorobenzamide
SMILESO=C(N[C@@H]1CCOC2(CCOCC2)C1)c1cc(F)ccc1F
InChIInChI=1S/C16H19F2NO3/c17-11-1-2-14(18)13(9-11)15(20)19-12-3-6-22-16(10-12)4-7-21-8-5-16/h1-2,9,12H,3-8,10H2,(H,19,20)/t12-/m1/s1
InChIKeyOCUFYFQOKCUARC-GFCCVEGCSA-N
MW311.33 g/mol
LogP2.42
Rot. Bonds2

About N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2,5-difluorobenzamide

N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2,5-difluorobenzamide (PubChem CID 99972757) has the molecular formula C16H19F2NO3 and a molecular weight of 311.33 g/mol. Its IUPAC name is N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2,5-difluorobenzamide
PubChem CID99972757
Molecular FormulaC16H19F2NO3
Molecular Weight311.33 g/mol
Exact Mass311.13
IUPAC NameN-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2,5-difluorobenzamide
SMILESO=C(N[C@@H]1CCOC2(CCOCC2)C1)c1cc(F)ccc1F
InChIInChI=1S/C16H19F2NO3/c17-11-1-2-14(18)13(9-11)15(20)19-12-3-6-22-16(10-12)4-7-21-8-5-16/h1-2,9,12H,3-8,10H2,(H,19,20)/t12-/m1/s1
InChIKeyOCUFYFQOKCUARC-GFCCVEGCSA-N
XLogP2.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-fluorobenzamide
CID 99970364
N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-methoxy-2-methylbenzamide
CID 129345943
(2,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79921615
2,5-difluoro-N-piperidin-4-ylbenzamide
CID 24690587
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide
CID 162627396
(5-chloro-2-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 114885073
5-bromo-2-fluoro-N-(oxan-4-yl)benzamide
CID 43610272
N-(2,2-diethyloxan-4-yl)-2-fluoro-5-sulfanylbenzamide
CID 107033933
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxy-4-(tetrazol-1-yl)benzamide
CID 77094231
7-fluoro-N-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]quinoxaline-6-carboxamide
CID 125140074
1-(3-chlorophenyl)-3-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]urea
CID 96579890
4-[(2,5-difluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66220763

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2,5-difluorobenzamide?
The IUPAC name of N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2,5-difluorobenzamide (CID 99972757) is N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2,5-difluorobenzamide.
What is the SMILES notation for N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2,5-difluorobenzamide?
The canonical SMILES for N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2,5-difluorobenzamide is O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1cc(F)ccc1F.
What is the InChIKey of N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2,5-difluorobenzamide?
The InChIKey is OCUFYFQOKCUARC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19F2NO3/c17-11-1-2-14(18)13(9-11)15(20)19-12-3-6-22-16(10-12)4-7-21-8-5-16/h1-2,9,12H,3-8,10H2,(H,19,20)/t12-/m1/s1.
What are the key properties of N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2,5-difluorobenzamide?
N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2,5-difluorobenzamide has a molecular weight of 311.33 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2,5-difluorobenzamide is sourced from PubChem (CID 99972757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).