4-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide

C15H18ClNO3 — CID 18583938

IUPAC4-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide
SMILESO=C(NCC1COC2(CCCC2)O1)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO3/c16-12-5-3-11(4-6-12)14(18)17-9-13-10-19-15(20-13)7-1-2-8-15/h3-6,13H,1-2,7-10H2,(H,17,18)
InChIKeyMKCJBJVYHVEZIJ-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.76
Rot. Bonds3

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

4-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide (PubChem CID 18583938) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 4-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide
PubChem CID18583938
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name4-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide
SMILESO=C(NCC1COC2(CCCC2)O1)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO3/c16-12-5-3-11(4-6-12)14(18)17-9-13-10-19-15(20-13)7-1-2-8-15/h3-6,13H,1-2,7-10H2,(H,17,18)
InChIKeyMKCJBJVYHVEZIJ-UHFFFAOYSA-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

3-chloro-N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]benzamide
CID 41412155
2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide
CID 18583785
4-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzamide
CID 103762524
N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-ethoxybenzamide
CID 18583934
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-ethoxybenzamide
CID 18583806
4-butoxy-N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]benzamide
CID 41412206
N'-[(4-chlorophenyl)methyl]-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
CID 18583975
N'-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide
CID 18583871
5-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-nitrobenzamide
CID 18583919
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]benzamide
CID 97256536
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]-3,4,5-triethoxybenzamide
CID 41412174

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide?
The IUPAC name of 4-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide (CID 18583938) is 4-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide is O=C(NCC1COC2(CCCC2)O1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide?
The InChIKey is MKCJBJVYHVEZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c16-12-5-3-11(4-6-12)14(18)17-9-13-10-19-15(20-13)7-1-2-8-15/h3-6,13H,1-2,7-10H2,(H,17,18).
What are the key properties of 4-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide?
4-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)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 4-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide is sourced from PubChem (CID 18583938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).