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

C16H19ClFNO3 — CID 99970364

IUPAC2-chloro-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-fluorobenzamide
SMILESO=C(N[C@@H]1CCOC2(CCOCC2)C1)c1ccc(F)cc1Cl
InChIInChI=1S/C16H19ClFNO3/c17-14-9-11(18)1-2-13(14)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
InChIKeyRGFYPVLZNIGUNS-GFCCVEGCSA-N
MW327.78 g/mol
LogP2.94
Rot. Bonds2

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

2-chloro-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-fluorobenzamide (PubChem CID 99970364) has the molecular formula C16H19ClFNO3 and a molecular weight of 327.78 g/mol. Its IUPAC name is 2-chloro-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-fluorobenzamide
PubChem CID99970364
Molecular FormulaC16H19ClFNO3
Molecular Weight327.78 g/mol
Exact Mass327.10
IUPAC Name2-chloro-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-fluorobenzamide
SMILESO=C(N[C@@H]1CCOC2(CCOCC2)C1)c1ccc(F)cc1Cl
InChIInChI=1S/C16H19ClFNO3/c17-14-9-11(18)1-2-13(14)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
InChIKeyRGFYPVLZNIGUNS-GFCCVEGCSA-N
XLogP2.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-fluorobenzamide (CID 99970364) is 2-chloro-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-fluorobenzamide is O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-fluorobenzamide?
The InChIKey is RGFYPVLZNIGUNS-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19ClFNO3/c17-14-9-11(18)1-2-13(14)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 2-chloro-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-fluorobenzamide?
2-chloro-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-fluorobenzamide has a molecular weight of 327.78 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 99970364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).