N-[3-[1-[3-methyl-4-(trifluoromethoxy)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]formamide

C19H21F3N2O3 — CID 166718017

IUPACN-[3-[1-[3-methyl-4-(trifluoromethoxy)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]formamide
SMILESCc1cc(C23CC2CN(C(=O)C2CC(NC=O)C2)C3)ccc1OC(F)(F)F
InChIInChI=1S/C19H21F3N2O3/c1-11-4-13(2-3-16(11)27-19(20,21)22)18-7-14(18)8-24(9-18)17(26)12-5-15(6-12)23-10-25/h2-4,10,12,14-15H,5-9H2,1H3,(H,23,25)
InChIKeyXCFAQXHJRIVERD-UHFFFAOYSA-N
MW382.38 g/mol
LogP2.52
Rot. Bonds5

About N-[3-[1-[3-methyl-4-(trifluoromethoxy)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]formamide

N-[3-[1-[3-methyl-4-(trifluoromethoxy)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]formamide (PubChem CID 166718017) has the molecular formula C19H21F3N2O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is N-[3-[1-[3-methyl-4-(trifluoromethoxy)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]formamide.

Molecular Properties

Compound NameN-[3-[1-[3-methyl-4-(trifluoromethoxy)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]formamide
PubChem CID166718017
Molecular FormulaC19H21F3N2O3
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC NameN-[3-[1-[3-methyl-4-(trifluoromethoxy)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]formamide
SMILESCc1cc(C23CC2CN(C(=O)C2CC(NC=O)C2)C3)ccc1OC(F)(F)F
InChIInChI=1S/C19H21F3N2O3/c1-11-4-13(2-3-16(11)27-19(20,21)22)18-7-14(18)8-24(9-18)17(26)12-5-15(6-12)23-10-25/h2-4,10,12,14-15H,5-9H2,1H3,(H,23,25)
InChIKeyXCFAQXHJRIVERD-UHFFFAOYSA-N
XLogP2.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-methyl-4-(trifluoromethoxy)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]formamide?
The IUPAC name of N-[3-[1-[3-methyl-4-(trifluoromethoxy)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]formamide (CID 166718017) is N-[3-[1-[3-methyl-4-(trifluoromethoxy)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]formamide.
What is the SMILES notation for N-[3-[1-[3-methyl-4-(trifluoromethoxy)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]formamide?
The canonical SMILES for N-[3-[1-[3-methyl-4-(trifluoromethoxy)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]formamide is Cc1cc(C23CC2CN(C(=O)C2CC(NC=O)C2)C3)ccc1OC(F)(F)F.
What is the InChIKey of N-[3-[1-[3-methyl-4-(trifluoromethoxy)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]formamide?
The InChIKey is XCFAQXHJRIVERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3/c1-11-4-13(2-3-16(11)27-19(20,21)22)18-7-14(18)8-24(9-18)17(26)12-5-15(6-12)23-10-25/h2-4,10,12,14-15H,5-9H2,1H3,(H,23,25).
What are the key properties of N-[3-[1-[3-methyl-4-(trifluoromethoxy)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]formamide?
N-[3-[1-[3-methyl-4-(trifluoromethoxy)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]formamide has a molecular weight of 382.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[3-methyl-4-(trifluoromethoxy)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]formamide is sourced from PubChem (CID 166718017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).