3-chloro-5-fluoro-4-hydroxy-N-(5-oxaspiro[3.5]nonan-8-yl)benzamide

C15H17ClFNO3 — CID 136537063

IUPAC3-chloro-5-fluoro-4-hydroxy-N-(5-oxaspiro[3.5]nonan-8-yl)benzamide
SMILESO=C(NC1CCOC2(CCC2)C1)c1cc(F)c(O)c(Cl)c1
InChIInChI=1S/C15H17ClFNO3/c16-11-6-9(7-12(17)13(11)19)14(20)18-10-2-5-21-15(8-10)3-1-4-15/h6-7,10,19H,1-5,8H2,(H,18,20)
InChIKeyRJELYALERYCKSV-UHFFFAOYSA-N
MW313.76 g/mol
LogP3.02
Rot. Bonds2

About 3-chloro-5-fluoro-4-hydroxy-N-(5-oxaspiro[3.5]nonan-8-yl)benzamide

3-chloro-5-fluoro-4-hydroxy-N-(5-oxaspiro[3.5]nonan-8-yl)benzamide (PubChem CID 136537063) has the molecular formula C15H17ClFNO3 and a molecular weight of 313.76 g/mol. Its IUPAC name is 3-chloro-5-fluoro-4-hydroxy-N-(5-oxaspiro[3.5]nonan-8-yl)benzamide.

Molecular Properties

Compound Name3-chloro-5-fluoro-4-hydroxy-N-(5-oxaspiro[3.5]nonan-8-yl)benzamide
PubChem CID136537063
Molecular FormulaC15H17ClFNO3
Molecular Weight313.76 g/mol
Exact Mass313.09
IUPAC Name3-chloro-5-fluoro-4-hydroxy-N-(5-oxaspiro[3.5]nonan-8-yl)benzamide
SMILESO=C(NC1CCOC2(CCC2)C1)c1cc(F)c(O)c(Cl)c1
InChIInChI=1S/C15H17ClFNO3/c16-11-6-9(7-12(17)13(11)19)14(20)18-10-2-5-21-15(8-10)3-1-4-15/h6-7,10,19H,1-5,8H2,(H,18,20)
InChIKeyRJELYALERYCKSV-UHFFFAOYSA-N
XLogP3.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4,5-difluorophenyl)-3-[(9R)-6-oxaspiro[4.5]decan-9-yl]urea
CID 97076162
2-chloro-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-fluorobenzamide
CID 99970364
2-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)pyridine-4-carboxamide
CID 166234579
N-(5-oxaspiro[3.5]nonan-8-yl)-1H-indole-6-carboxamide
CID 166225824
N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2,5-difluorobenzamide
CID 99972757
8-[(3-fluoro-4-methylbenzoyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid
CID 154782864
5-oxaspiro[3.5]nonan-8-ylurea
CID 131086736
N-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-4-hydroxynaphthalene-2-carboxamide
CID 124883194
1-(3-fluorophenyl)-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]cyclopropane-1-carboxamide
CID 97077216
3-[[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]carbamoyl]-5-methylbenzoic acid
CID 129468061
N-(3,4,5-trifluorophenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903806
6-oxaspiro[4.5]decan-9-ylurea
CID 127598348

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-4-hydroxy-N-(5-oxaspiro[3.5]nonan-8-yl)benzamide?
The IUPAC name of 3-chloro-5-fluoro-4-hydroxy-N-(5-oxaspiro[3.5]nonan-8-yl)benzamide (CID 136537063) is 3-chloro-5-fluoro-4-hydroxy-N-(5-oxaspiro[3.5]nonan-8-yl)benzamide.
What is the SMILES notation for 3-chloro-5-fluoro-4-hydroxy-N-(5-oxaspiro[3.5]nonan-8-yl)benzamide?
The canonical SMILES for 3-chloro-5-fluoro-4-hydroxy-N-(5-oxaspiro[3.5]nonan-8-yl)benzamide is O=C(NC1CCOC2(CCC2)C1)c1cc(F)c(O)c(Cl)c1.
What is the InChIKey of 3-chloro-5-fluoro-4-hydroxy-N-(5-oxaspiro[3.5]nonan-8-yl)benzamide?
The InChIKey is RJELYALERYCKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO3/c16-11-6-9(7-12(17)13(11)19)14(20)18-10-2-5-21-15(8-10)3-1-4-15/h6-7,10,19H,1-5,8H2,(H,18,20).
What are the key properties of 3-chloro-5-fluoro-4-hydroxy-N-(5-oxaspiro[3.5]nonan-8-yl)benzamide?
3-chloro-5-fluoro-4-hydroxy-N-(5-oxaspiro[3.5]nonan-8-yl)benzamide has a molecular weight of 313.76 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-4-hydroxy-N-(5-oxaspiro[3.5]nonan-8-yl)benzamide is sourced from PubChem (CID 136537063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).