trans-(1R,2R)-2-(2-methoxyphenyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide

C16H20F3NO2 — CID 95321749

IUPACtrans-(1R,2R)-2-(2-methoxyphenyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1[C@@H]1C[C@H]1C(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C16H20F3NO2/c1-10(2)20(9-16(17,18)19)15(21)13-8-12(13)11-6-4-5-7-14(11)22-3/h4-7,10,12-13H,8-9H2,1-3H3/t12-,13+/m0/s1
InChIKeyVJUXGXVJOXTEGT-QWHCGFSZSA-N
MW315.34 g/mol
LogP3.60
Rot. Bonds5

About trans-(1R,2R)-2-(2-methoxyphenyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide

trans-(1R,2R)-2-(2-methoxyphenyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (PubChem CID 95321749) has the molecular formula C16H20F3NO2 and a molecular weight of 315.34 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2-methoxyphenyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2-methoxyphenyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
PubChem CID95321749
Molecular FormulaC16H20F3NO2
Molecular Weight315.34 g/mol
Exact Mass315.14
IUPAC Nametrans-(1R,2R)-2-(2-methoxyphenyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1[C@@H]1C[C@H]1C(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C16H20F3NO2/c1-10(2)20(9-16(17,18)19)15(21)13-8-12(13)11-6-4-5-7-14(11)22-3/h4-7,10,12-13H,8-9H2,1-3H3/t12-,13+/m0/s1
InChIKeyVJUXGXVJOXTEGT-QWHCGFSZSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-2-(2-methoxyphenyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

2-[butan-2-yl-[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]acetic acid
CID 119954652
N-(1-aminopropan-2-yl)-N-methyl-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 119581655
trans-(1R,2R)-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 98760900
2-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 134054644
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 111596715
trans-(1S,2S)-N-cyclopropyl-2-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
CID 95142348
3-[methyl-[(1R,2R)-2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 124686663
3-[methyl-[(1S,2R)-2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 124686690
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 111482672
trans-(1R,2R)-N-(1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 95156605
trans-(1R,2R)-N-(2-hydroxy-2-phenylethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 138039139
N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 84563591

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2-methoxyphenyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(2-methoxyphenyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (CID 95321749) is trans-(1R,2R)-2-(2-methoxyphenyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(2-methoxyphenyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(2-methoxyphenyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is COc1ccccc1[C@@H]1C[C@H]1C(=O)N(CC(F)(F)F)C(C)C.
What is the InChIKey of trans-(1R,2R)-2-(2-methoxyphenyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The InChIKey is VJUXGXVJOXTEGT-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H20F3NO2/c1-10(2)20(9-16(17,18)19)15(21)13-8-12(13)11-6-4-5-7-14(11)22-3/h4-7,10,12-13H,8-9H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(2-methoxyphenyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(2-methoxyphenyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide has a molecular weight of 315.34 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2-methoxyphenyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95321749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).