chloro 2-(10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetate;1,3-difluorobenzene

C16H19ClF2N2O3 — CID 143627089

IUPACchloro 2-(10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetate;1,3-difluorobenzene
SMILESFc1cccc(F)c1.O=C(CN1CCNC2(CCCC2)C1=O)OCl
InChIInChI=1S/C10H15ClN2O3.C6H4F2/c11-16-8(14)7-13-6-5-12-10(9(13)15)3-1-2-4-10;7-5-2-1-3-6(8)4-5/h12H,1-7H2;1-4H
InChIKeyMLTOOUHUWCUMSO-UHFFFAOYSA-N
MW360.79 g/mol
LogP2.39
Rot. Bonds2

About chloro 2-(10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetate;1,3-difluorobenzene

chloro 2-(10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetate;1,3-difluorobenzene (PubChem CID 143627089) has the molecular formula C16H19ClF2N2O3 and a molecular weight of 360.79 g/mol. Its IUPAC name is chloro 2-(10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetate;1,3-difluorobenzene.

Molecular Properties

Compound Namechloro 2-(10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetate;1,3-difluorobenzene
PubChem CID143627089
Molecular FormulaC16H19ClF2N2O3
Molecular Weight360.79 g/mol
Exact Mass360.11
IUPAC Namechloro 2-(10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetate;1,3-difluorobenzene
SMILESFc1cccc(F)c1.O=C(CN1CCNC2(CCCC2)C1=O)OCl
InChIInChI=1S/C10H15ClN2O3.C6H4F2/c11-16-8(14)7-13-6-5-12-10(9(13)15)3-1-2-4-10;7-5-2-1-3-6(8)4-5/h12H,1-7H2;1-4H
InChIKeyMLTOOUHUWCUMSO-UHFFFAOYSA-N
XLogP2.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.79
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze chloro 2-(10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetate;1,3-difluorobenzene with MolForge

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Related Compounds

2-[(8R)-8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetic acid
CID 53260813
N-[2-(4-fluorophenyl)ethyl]-1-morpholin-4-ylcyclopentane-1-carboxamide
CID 72135391
2-({1-[3-(2,5-Difluorophenyl)propanoyl]-3-methylpyrrolidin-3-yl}amino)acetic acid
CID 129008200
(8R)-8-(3,5-difluorophenyl)-9-prop-2-enyl-6,9-diazaspiro[4.5]decan-10-one
CID 58118661
Methyl [(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]dec-9-yl]acetate
CID 58118684
2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]propanoic acid
CID 66865037
2-[8-(3,5-Difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]butanoic acid
CID 66955231
2-[(8S)-8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]butanoic acid
CID 66972974
2-[(8R)-8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]butanoic acid
CID 66973324
2-[(8S)-8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetic acid
CID 68704904
2-[8-(3,5-Difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetic acid
CID 68705426
[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]dec-9-yl]acetic acid
CID 68749576

Frequently Asked Questions

What is the IUPAC name of chloro 2-(10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetate;1,3-difluorobenzene?
The IUPAC name of chloro 2-(10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetate;1,3-difluorobenzene (CID 143627089) is chloro 2-(10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetate;1,3-difluorobenzene.
What is the SMILES notation for chloro 2-(10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetate;1,3-difluorobenzene?
The canonical SMILES for chloro 2-(10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetate;1,3-difluorobenzene is Fc1cccc(F)c1.O=C(CN1CCNC2(CCCC2)C1=O)OCl.
What is the InChIKey of chloro 2-(10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetate;1,3-difluorobenzene?
The InChIKey is MLTOOUHUWCUMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3.C6H4F2/c11-16-8(14)7-13-6-5-12-10(9(13)15)3-1-2-4-10;7-5-2-1-3-6(8)4-5/h12H,1-7H2;1-4H.
What are the key properties of chloro 2-(10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetate;1,3-difluorobenzene?
chloro 2-(10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetate;1,3-difluorobenzene has a molecular weight of 360.79 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 2-(10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetate;1,3-difluorobenzene is sourced from PubChem (CID 143627089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).