(5R)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]cyclopropyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C17H19F3N2O — CID 144745345

IUPAC(5R)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]cyclopropyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NC1(Cc2ccccc2C(F)(F)F)CC1)C1C2CNC[C@H]21
InChIInChI=1S/C17H19F3N2O/c18-17(19,20)13-4-2-1-3-10(13)7-16(5-6-16)22-15(23)14-11-8-21-9-12(11)14/h1-4,11-12,14,21H,5-9H2,(H,22,23)/t11-,12?,14?/m1/s1
InChIKeyCNWXASMCTNEKFZ-LKSINWNRSA-N
MW324.35 g/mol
LogP2.36
Rot. Bonds4

About (5R)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]cyclopropyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

(5R)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]cyclopropyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 144745345) has the molecular formula C17H19F3N2O and a molecular weight of 324.35 g/mol. Its IUPAC name is (5R)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]cyclopropyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(5R)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]cyclopropyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID144745345
Molecular FormulaC17H19F3N2O
Molecular Weight324.35 g/mol
Exact Mass324.14
IUPAC Name(5R)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]cyclopropyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NC1(Cc2ccccc2C(F)(F)F)CC1)C1C2CNC[C@H]21
InChIInChI=1S/C17H19F3N2O/c18-17(19,20)13-4-2-1-3-10(13)7-16(5-6-16)22-15(23)14-11-8-21-9-12(11)14/h1-4,11-12,14,21H,5-9H2,(H,22,23)/t11-,12?,14?/m1/s1
InChIKeyCNWXASMCTNEKFZ-LKSINWNRSA-N
XLogP2.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (5R)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]cyclopropyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Related Compounds

N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide
CID 63102198
N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119279719
4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119705514
1-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 81169624
2-[3-[[2-(trifluoromethyl)phenyl]methylamino]azetidin-3-yl]acetic acid
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3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119944209
(2S)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119705503
1-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]cyclopropane-1-carboxylic acid
CID 75483399
1-(4-methylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 22248330
(2R)-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 2761894
1-phenyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 3527303
(2R,3S)-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120921553

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]cyclopropyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (5R)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]cyclopropyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 144745345) is (5R)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]cyclopropyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (5R)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]cyclopropyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (5R)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]cyclopropyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is O=C(NC1(Cc2ccccc2C(F)(F)F)CC1)C1C2CNC[C@H]21.
What is the InChIKey of (5R)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]cyclopropyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is CNWXASMCTNEKFZ-LKSINWNRSA-N. The full InChI is InChI=1S/C17H19F3N2O/c18-17(19,20)13-4-2-1-3-10(13)7-16(5-6-16)22-15(23)14-11-8-21-9-12(11)14/h1-4,11-12,14,21H,5-9H2,(H,22,23)/t11-,12?,14?/m1/s1.
What are the key properties of (5R)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]cyclopropyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(5R)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]cyclopropyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 324.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]cyclopropyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 144745345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).