2,5-dichloro-N-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]benzamide

C15H17Cl2NO3 — CID 124885820

IUPAC2,5-dichloro-N-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]benzamide
SMILESO=C(N[C@H]1CCCC2(C1)OCCO2)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H17Cl2NO3/c16-10-3-4-13(17)12(8-10)14(19)18-11-2-1-5-15(9-11)20-6-7-21-15/h3-4,8,11H,1-2,5-7,9H2,(H,18,19)/t11-/m0/s1
InChIKeyYKXLLANVDGSHEI-NSHDSACASA-N
MW330.21 g/mol
LogP3.41
Rot. Bonds2

About 2,5-dichloro-N-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]benzamide

2,5-dichloro-N-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]benzamide (PubChem CID 124885820) has the molecular formula C15H17Cl2NO3 and a molecular weight of 330.21 g/mol. Its IUPAC name is 2,5-dichloro-N-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]benzamide
PubChem CID124885820
Molecular FormulaC15H17Cl2NO3
Molecular Weight330.21 g/mol
Exact Mass329.06
IUPAC Name2,5-dichloro-N-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]benzamide
SMILESO=C(N[C@H]1CCCC2(C1)OCCO2)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H17Cl2NO3/c16-10-3-4-13(17)12(8-10)14(19)18-11-2-1-5-15(9-11)20-6-7-21-15/h3-4,8,11H,1-2,5-7,9H2,(H,18,19)/t11-/m0/s1
InChIKeyYKXLLANVDGSHEI-NSHDSACASA-N
XLogP3.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]benzamide
CID 124737942
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
2,5-dichloro-N-piperidin-4-ylbenzamide
CID 43345741
5-bromo-N-(1,4-dioxaspiro[4.5]decan-7-yl)pyridine-3-carboxamide
CID 75453330
2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689600
1-(3-chloro-4-cyclopentyloxyphenyl)-3-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]urea
CID 97349350
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182
3-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluorobenzamide
CID 81422797
2,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259782
2,5-dichloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide
CID 71785720
2,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2124760

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]benzamide?
The IUPAC name of 2,5-dichloro-N-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]benzamide (CID 124885820) is 2,5-dichloro-N-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]benzamide is O=C(N[C@H]1CCCC2(C1)OCCO2)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]benzamide?
The InChIKey is YKXLLANVDGSHEI-NSHDSACASA-N. The full InChI is InChI=1S/C15H17Cl2NO3/c16-10-3-4-13(17)12(8-10)14(19)18-11-2-1-5-15(9-11)20-6-7-21-15/h3-4,8,11H,1-2,5-7,9H2,(H,18,19)/t11-/m0/s1.
What are the key properties of 2,5-dichloro-N-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]benzamide?
2,5-dichloro-N-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]benzamide has a molecular weight of 330.21 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]benzamide is sourced from PubChem (CID 124885820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).