N-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-1-phenylpropyl]-2,4-bis(trifluoromethyl)benzamide

C24H24F6N2O — CID 11511128

IUPACN-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-1-phenylpropyl]-2,4-bis(trifluoromethyl)benzamide
SMILESCC(C)(C(NC(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F)c1ccccc1)N1CC2CC2C1
InChIInChI=1S/C24H24F6N2O/c1-22(2,32-12-15-10-16(15)13-32)20(14-6-4-3-5-7-14)31-21(33)18-9-8-17(23(25,26)27)11-19(18)24(28,29)30/h3-9,11,15-16,20H,10,12-13H2,1-2H3,(H,31,33)
InChIKeyLJWLBNTVMNJRIR-UHFFFAOYSA-N
MW470.46 g/mol
LogP5.93
Rot. Bonds5

About N-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-1-phenylpropyl]-2,4-bis(trifluoromethyl)benzamide

N-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-1-phenylpropyl]-2,4-bis(trifluoromethyl)benzamide (PubChem CID 11511128) has the molecular formula C24H24F6N2O and a molecular weight of 470.46 g/mol. Its IUPAC name is N-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-1-phenylpropyl]-2,4-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-1-phenylpropyl]-2,4-bis(trifluoromethyl)benzamide
PubChem CID11511128
Molecular FormulaC24H24F6N2O
Molecular Weight470.46 g/mol
Exact Mass470.18
IUPAC NameN-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-1-phenylpropyl]-2,4-bis(trifluoromethyl)benzamide
SMILESCC(C)(C(NC(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F)c1ccccc1)N1CC2CC2C1
InChIInChI=1S/C24H24F6N2O/c1-22(2,32-12-15-10-16(15)13-32)20(14-6-4-3-5-7-14)31-21(33)18-9-8-17(23(25,26)27)11-19(18)24(28,29)30/h3-9,11,15-16,20H,10,12-13H2,1-2H3,(H,31,33)
InChIKeyLJWLBNTVMNJRIR-UHFFFAOYSA-N
XLogP5.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.46
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)-2-methylsulfanyl-4,6-bis(trifluoromethyl)benzamide
CID 59347805
2-ethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)-4,6-bis(trifluoromethyl)benzamide
CID 59347762
2,4-dimethyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 59347917
3-(1,1-difluoroethyl)-2-methoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 70325594
bis(2-methoxy-N-[(1R)-2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl]-4,6-bis(trifluoromethyl)benzamide);naphthalene-1,5-disulfonic acid
CID 23634524
N-(2,2-dimethyl-1-phenylbutyl)-2-ethyl-4,6-bis(trifluoromethyl)benzamide
CID 143249915
[2,4-bis(trifluoromethyl)phenyl]-[(1S,5R,6S)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone
CID 137335033
N-[(1R)-2,2-dimethyl-1-phenylpropyl]benzamide
CID 51940794
5-bromo-2-methoxy-3-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 59347780
(2S,4R)-4-amino-1-[2,4-bis(trifluoromethyl)benzoyl]-N-methylpyrrolidine-2-carboxamide
CID 56748375
N-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-2-methyl-4-(trifluoromethyl)benzamide
CID 166235083
cis-(1S,2R)-2-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 51968750

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-1-phenylpropyl]-2,4-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-1-phenylpropyl]-2,4-bis(trifluoromethyl)benzamide (CID 11511128) is N-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-1-phenylpropyl]-2,4-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-1-phenylpropyl]-2,4-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-1-phenylpropyl]-2,4-bis(trifluoromethyl)benzamide is CC(C)(C(NC(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F)c1ccccc1)N1CC2CC2C1.
What is the InChIKey of N-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-1-phenylpropyl]-2,4-bis(trifluoromethyl)benzamide?
The InChIKey is LJWLBNTVMNJRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F6N2O/c1-22(2,32-12-15-10-16(15)13-32)20(14-6-4-3-5-7-14)31-21(33)18-9-8-17(23(25,26)27)11-19(18)24(28,29)30/h3-9,11,15-16,20H,10,12-13H2,1-2H3,(H,31,33).
What are the key properties of N-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-1-phenylpropyl]-2,4-bis(trifluoromethyl)benzamide?
N-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-1-phenylpropyl]-2,4-bis(trifluoromethyl)benzamide has a molecular weight of 470.46 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-1-phenylpropyl]-2,4-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 11511128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).