N-[4-chloro-3-(trifluoromethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

C15H16ClF3N2O3 — CID 23604725

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H16ClF3N2O3/c16-12-2-1-10(9-11(12)15(17,18)19)20-13(22)21-5-3-14(4-6-21)23-7-8-24-14/h1-2,9H,3-8H2,(H,20,22)
InChIKeyURWLISHEAWDRSQ-UHFFFAOYSA-N
MW364.75 g/mol
LogP3.73
Rot. Bonds1

About N-[4-chloro-3-(trifluoromethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 23604725) has the molecular formula C15H16ClF3N2O3 and a molecular weight of 364.75 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID23604725
Molecular FormulaC15H16ClF3N2O3
Molecular Weight364.75 g/mol
Exact Mass364.08
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H16ClF3N2O3/c16-12-2-1-10(9-11(12)15(17,18)19)20-13(22)21-5-3-14(4-6-21)23-7-8-24-14/h1-2,9H,3-8H2,(H,20,22)
InChIKeyURWLISHEAWDRSQ-UHFFFAOYSA-N
XLogP3.73
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.75
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (CID 23604725) is N-[4-chloro-3-(trifluoromethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC2(CC1)OCCO2.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is URWLISHEAWDRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N2O3/c16-12-2-1-10(9-11(12)15(17,18)19)20-13(22)21-5-3-14(4-6-21)23-7-8-24-14/h1-2,9H,3-8H2,(H,20,22).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 364.75 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 23604725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).