1-(3-methylphenyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]cyclopropane-1-carboxamide

C18H21F3N2O — CID 138011807

IUPAC1-(3-methylphenyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]cyclopropane-1-carboxamide
SMILESCc1cccc(C2(C(=O)NC[C@@]34CNC[C@]3(C(F)(F)F)C4)CC2)c1
InChIInChI=1S/C18H21F3N2O/c1-12-3-2-4-13(7-12)16(5-6-16)14(24)23-10-15-8-17(15,11-22-9-15)18(19,20)21/h2-4,7,22H,5-6,8-11H2,1H3,(H,23,24)/t15-,17-/m1/s1
InChIKeySKNYWNWQVHBUQU-NVXWUHKLSA-N
MW338.37 g/mol
LogP2.68
Rot. Bonds4

About 1-(3-methylphenyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]cyclopropane-1-carboxamide

1-(3-methylphenyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 138011807) has the molecular formula C18H21F3N2O and a molecular weight of 338.37 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]cyclopropane-1-carboxamide
PubChem CID138011807
Molecular FormulaC18H21F3N2O
Molecular Weight338.37 g/mol
Exact Mass338.16
IUPAC Name1-(3-methylphenyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]cyclopropane-1-carboxamide
SMILESCc1cccc(C2(C(=O)NC[C@@]34CNC[C@]3(C(F)(F)F)C4)CC2)c1
InChIInChI=1S/C18H21F3N2O/c1-12-3-2-4-13(7-12)16(5-6-16)14(24)23-10-15-8-17(15,11-22-9-15)18(19,20)21/h2-4,7,22H,5-6,8-11H2,1H3,(H,23,24)/t15-,17-/m1/s1
InChIKeySKNYWNWQVHBUQU-NVXWUHKLSA-N
XLogP2.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-methylphenyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 120888205
4-methyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide
CID 138011837
N-[(1-hydroxycyclobutyl)methyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 111445825
1-(3-methylphenyl)cyclopropane-1-carbohydrazide
CID 116844219
1-[[[1-(3-methylphenyl)cyclobutanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449997
N-(2-chloroprop-2-enyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 113238634
N-(2-hydroxy-2-methylpropyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 65109762
N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-1,3-dihydroisoindole-2-carboxamide
CID 138016722
N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 119507604
4-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]butanoic acid
CID 119170628
1-(3-methylphenyl)-N-(3-piperazin-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119393940
1-(3,5-dimethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide
CID 120890775

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-methylphenyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]cyclopropane-1-carboxamide (CID 138011807) is 1-(3-methylphenyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-methylphenyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]cyclopropane-1-carboxamide is Cc1cccc(C2(C(=O)NC[C@@]34CNC[C@]3(C(F)(F)F)C4)CC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is SKNYWNWQVHBUQU-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H21F3N2O/c1-12-3-2-4-13(7-12)16(5-6-16)14(24)23-10-15-8-17(15,11-22-9-15)18(19,20)21/h2-4,7,22H,5-6,8-11H2,1H3,(H,23,24)/t15-,17-/m1/s1.
What are the key properties of 1-(3-methylphenyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]cyclopropane-1-carboxamide?
1-(3-methylphenyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 138011807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).