5-chloro-2-hydroxy-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]benzamide

C15H19ClN2O3 — CID 99989761

IUPAC5-chloro-2-hydroxy-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]benzamide
SMILESO=C(N[C@@H]1COC2(CCNCC2)C1)c1cc(Cl)ccc1O
InChIInChI=1S/C15H19ClN2O3/c16-10-1-2-13(19)12(7-10)14(20)18-11-8-15(21-9-11)3-5-17-6-4-15/h1-2,7,11,17,19H,3-6,8-9H2,(H,18,20)/t11-/m0/s1
InChIKeyPZESMYKJZXFNOR-NSHDSACASA-N
MW310.78 g/mol
LogP1.69
Rot. Bonds2

About 5-chloro-2-hydroxy-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]benzamide

5-chloro-2-hydroxy-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]benzamide (PubChem CID 99989761) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]benzamide
PubChem CID99989761
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name5-chloro-2-hydroxy-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]benzamide
SMILESO=C(N[C@@H]1COC2(CCNCC2)C1)c1cc(Cl)ccc1O
InChIInChI=1S/C15H19ClN2O3/c16-10-1-2-13(19)12(7-10)14(20)18-11-8-15(21-9-11)3-5-17-6-4-15/h1-2,7,11,17,19H,3-6,8-9H2,(H,18,20)/t11-/m0/s1
InChIKeyPZESMYKJZXFNOR-NSHDSACASA-N
XLogP1.69
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]benzamide (CID 99989761) is 5-chloro-2-hydroxy-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]benzamide is O=C(N[C@@H]1COC2(CCNCC2)C1)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]benzamide?
The InChIKey is PZESMYKJZXFNOR-NSHDSACASA-N. The full InChI is InChI=1S/C15H19ClN2O3/c16-10-1-2-13(19)12(7-10)14(20)18-11-8-15(21-9-11)3-5-17-6-4-15/h1-2,7,11,17,19H,3-6,8-9H2,(H,18,20)/t11-/m0/s1.
What are the key properties of 5-chloro-2-hydroxy-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]benzamide?
5-chloro-2-hydroxy-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]benzamide has a molecular weight of 310.78 g/mol, XLogP of 1.69, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-[(3S)-1-oxa-8-azaspiro[4.5]decan-3-yl]benzamide is sourced from PubChem (CID 99989761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).