N-[3-cyclobutyl-4-(trifluoromethyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide

C19H23F3N2O — CID 176941395

IUPACN-[3-cyclobutyl-4-(trifluoromethyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide
SMILESCC1CC2CC(C1)N2C(=O)Nc1ccc(C(F)(F)F)c(C2CCC2)c1
InChIInChI=1S/C19H23F3N2O/c1-11-7-14-10-15(8-11)24(14)18(25)23-13-5-6-17(19(20,21)22)16(9-13)12-3-2-4-12/h5-6,9,11-12,14-15H,2-4,7-8,10H2,1H3,(H,23,25)
InChIKeyKQKQBARVALIAJK-UHFFFAOYSA-N
MW352.40 g/mol
LogP5.38
Rot. Bonds2

About N-[3-cyclobutyl-4-(trifluoromethyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide

N-[3-cyclobutyl-4-(trifluoromethyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide (PubChem CID 176941395) has the molecular formula C19H23F3N2O and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[3-cyclobutyl-4-(trifluoromethyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide.

Molecular Properties

Compound NameN-[3-cyclobutyl-4-(trifluoromethyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide
PubChem CID176941395
Molecular FormulaC19H23F3N2O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC NameN-[3-cyclobutyl-4-(trifluoromethyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide
SMILESCC1CC2CC(C1)N2C(=O)Nc1ccc(C(F)(F)F)c(C2CCC2)c1
InChIInChI=1S/C19H23F3N2O/c1-11-7-14-10-15(8-11)24(14)18(25)23-13-5-6-17(19(20,21)22)16(9-13)12-3-2-4-12/h5-6,9,11-12,14-15H,2-4,7-8,10H2,1H3,(H,23,25)
InChIKeyKQKQBARVALIAJK-UHFFFAOYSA-N
XLogP5.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.40
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[3-cyclobutyl-4-(trifluoromethyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-N-[4-chloro-3-(3-hydroxycyclobutyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 176941188
(5S)-N-[4-chloro-3-[(1S)-2-oxocyclobutyl]phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 176941268
N-[3-(4-methylpyrazol-1-yl)-4-(trifluoromethyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 176677403
N-[3-(azetidin-1-yl)-4-chlorophenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 176941334
(5R)-N-[4-chloro-3-[2-(triazol-2-yl)cyclobutyl]phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 176941311
N-[4-cyclopropyl-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 176940614
N-[4-chloro-3-(5-fluoro-3-pyridinyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 170431408
(1S,5R)-N-[3-[N'-[(Z)-1-amino-3,3,3-trifluoroprop-1-en-2-yl]carbamimidoyl]-4-methylphenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 169176007
N-[4-chloro-3-(1,2,4-triazol-4-yl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 176677509
N-[4-cyclopropyl-3-(5-fluoro-2-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 169176518
(5R)-3-methyl-N-[4-methyl-3-(2-methyltriazol-4-yl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 176940768
N-[3-(5-fluoropyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-2-azatricyclo[3.3.1.13,7]decane-2-carboxamide
CID 170205996

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclobutyl-4-(trifluoromethyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide?
The IUPAC name of N-[3-cyclobutyl-4-(trifluoromethyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide (CID 176941395) is N-[3-cyclobutyl-4-(trifluoromethyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide.
What is the SMILES notation for N-[3-cyclobutyl-4-(trifluoromethyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide?
The canonical SMILES for N-[3-cyclobutyl-4-(trifluoromethyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide is CC1CC2CC(C1)N2C(=O)Nc1ccc(C(F)(F)F)c(C2CCC2)c1.
What is the InChIKey of N-[3-cyclobutyl-4-(trifluoromethyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide?
The InChIKey is KQKQBARVALIAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O/c1-11-7-14-10-15(8-11)24(14)18(25)23-13-5-6-17(19(20,21)22)16(9-13)12-3-2-4-12/h5-6,9,11-12,14-15H,2-4,7-8,10H2,1H3,(H,23,25).
What are the key properties of N-[3-cyclobutyl-4-(trifluoromethyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide?
N-[3-cyclobutyl-4-(trifluoromethyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 5.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclobutyl-4-(trifluoromethyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide is sourced from PubChem (CID 176941395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).