cis-(1S,2R)-2-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide

C14H16F3NO — CID 51968750

IUPACcis-(1S,2R)-2-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)[C@H]1C[C@H]1C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3NO/c1-8-6-12(8)13(19)18-9(2)10-4-3-5-11(7-10)14(15,16)17/h3-5,7-9,12H,6H2,1-2H3,(H,18,19)/t8-,9+,12+/m1/s1
InChIKeyAGBTYCCEIOGREX-PTRXPTGYSA-N
MW271.28 g/mol
LogP3.54
Rot. Bonds3

About cis-(1S,2R)-2-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide

cis-(1S,2R)-2-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide (PubChem CID 51968750) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is cis-(1S,2R)-2-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
PubChem CID51968750
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Namecis-(1S,2R)-2-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)[C@H]1C[C@H]1C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3NO/c1-8-6-12(8)13(19)18-9(2)10-4-3-5-11(7-10)14(15,16)17/h3-5,7-9,12H,6H2,1-2H3,(H,18,19)/t8-,9+,12+/m1/s1
InChIKeyAGBTYCCEIOGREX-PTRXPTGYSA-N
XLogP3.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-[1-(4-tert-butylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
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3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
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2,2,3,3-tetrafluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
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(3S)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide (CID 51968750) is cis-(1S,2R)-2-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide is C[C@H](NC(=O)[C@H]1C[C@H]1C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of cis-(1S,2R)-2-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide?
The InChIKey is AGBTYCCEIOGREX-PTRXPTGYSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-8-6-12(8)13(19)18-9(2)10-4-3-5-11(7-10)14(15,16)17/h3-5,7-9,12H,6H2,1-2H3,(H,18,19)/t8-,9+,12+/m1/s1.
What are the key properties of cis-(1S,2R)-2-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-2-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 51968750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).