3-chloro-N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]benzamide

C15H18ClNO3 — CID 41412155

IUPAC3-chloro-N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1COC2(CCCC2)O1)c1cccc(Cl)c1
InChIInChI=1S/C15H18ClNO3/c16-12-5-3-4-11(8-12)14(18)17-9-13-10-19-15(20-13)6-1-2-7-15/h3-5,8,13H,1-2,6-7,9-10H2,(H,17,18)/t13-/m1/s1
InChIKeyPRSUQXDAKKYJEG-CYBMUJFWSA-N
MW295.77 g/mol
LogP2.76
Rot. Bonds3

About 3-chloro-N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]benzamide

3-chloro-N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]benzamide (PubChem CID 41412155) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-chloro-N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]benzamide
PubChem CID41412155
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name3-chloro-N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1COC2(CCCC2)O1)c1cccc(Cl)c1
InChIInChI=1S/C15H18ClNO3/c16-12-5-3-4-11(8-12)14(18)17-9-13-10-19-15(20-13)6-1-2-7-15/h3-5,8,13H,1-2,6-7,9-10H2,(H,17,18)/t13-/m1/s1
InChIKeyPRSUQXDAKKYJEG-CYBMUJFWSA-N
XLogP2.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide
CID 18583938
N'-(3-chlorophenyl)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide
CID 7423611
2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide
CID 18583785
5-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-nitrobenzamide
CID 18583919
N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3,4-diethoxybenzamide
CID 7423517
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2,6-dimethoxybenzamide
CID 41412128
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,6-dimethoxybenzamide
CID 41412095
N'-[(4-chlorophenyl)methyl]-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
CID 18583975
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]furan-2-carboxamide
CID 41412119
N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-ethoxybenzamide
CID 18583934
N'-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide
CID 18583871
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-ethoxybenzamide
CID 18583806

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]benzamide?
The IUPAC name of 3-chloro-N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]benzamide (CID 41412155) is 3-chloro-N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]benzamide?
The canonical SMILES for 3-chloro-N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]benzamide is O=C(NC[C@@H]1COC2(CCCC2)O1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]benzamide?
The InChIKey is PRSUQXDAKKYJEG-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18ClNO3/c16-12-5-3-4-11(8-12)14(18)17-9-13-10-19-15(20-13)6-1-2-7-15/h3-5,8,13H,1-2,6-7,9-10H2,(H,17,18)/t13-/m1/s1.
What are the key properties of 3-chloro-N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]benzamide?
3-chloro-N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]benzamide has a molecular weight of 295.77 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]benzamide is sourced from PubChem (CID 41412155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).