1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate

C15H15ClF3N3O3 — CID 90740544

IUPAC1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)ON1CCC2(C=CNO2)CC1
InChIInChI=1S/C15H15ClF3N3O3/c16-10-1-2-12(11(9-10)15(17,18)19)21-13(23)24-22-7-4-14(5-8-22)3-6-20-25-14/h1-3,6,9,20H,4-5,7-8H2,(H,21,23)
InChIKeyHZYGBZBUPNOFTR-UHFFFAOYSA-N
MW377.75 g/mol
LogP3.71
Rot. Bonds2

About 1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate

1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate (PubChem CID 90740544) has the molecular formula C15H15ClF3N3O3 and a molecular weight of 377.75 g/mol. Its IUPAC name is 1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Name1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
PubChem CID90740544
Molecular FormulaC15H15ClF3N3O3
Molecular Weight377.75 g/mol
Exact Mass377.08
IUPAC Name1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)ON1CCC2(C=CNO2)CC1
InChIInChI=1S/C15H15ClF3N3O3/c16-10-1-2-12(11(9-10)15(17,18)19)21-13(23)24-22-7-4-14(5-8-22)3-6-20-25-14/h1-3,6,9,20H,4-5,7-8H2,(H,21,23)
InChIKeyHZYGBZBUPNOFTR-UHFFFAOYSA-N
XLogP3.71
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.75
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-fluorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
CID 3642626
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxomorpholine-3-carboxamide
CID 110696868
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclopropylmethyl)urea
CID 3867881
1-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 60866502
(2-bromo-4,6-dichlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
CID 4621666
(2,4-dibromo-6-chlorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
CID 4685388
1-N'-[4-chloro-2-(trifluoromethyl)phenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide
CID 108970756
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2449682
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylpiperidine-2-carboxamide
CID 107067123
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,5-difluorophenyl)methyl]urea
CID 74224665
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide
CID 75085786
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 113008466

Frequently Asked Questions

What is the IUPAC name of 1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of 1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate (CID 90740544) is 1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for 1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for 1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate is O=C(Nc1ccc(Cl)cc1C(F)(F)F)ON1CCC2(C=CNO2)CC1.
What is the InChIKey of 1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate?
The InChIKey is HZYGBZBUPNOFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N3O3/c16-10-1-2-12(11(9-10)15(17,18)19)21-13(23)24-22-7-4-14(5-8-22)3-6-20-25-14/h1-3,6,9,20H,4-5,7-8H2,(H,21,23).
What are the key properties of 1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate?
1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate has a molecular weight of 377.75 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 90740544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).