trans-(1R,2R)-2-(2-fluorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide

C12H14FNO2 — CID 90220082

IUPACtrans-(1R,2R)-2-(2-fluorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)[C@@H]1C[C@H]1c1ccccc1F
InChIInChI=1S/C12H14FNO2/c1-14(16-2)12(15)10-7-9(10)8-5-3-4-6-11(8)13/h3-6,9-10H,7H2,1-2H3/t9-,10+/m0/s1
InChIKeyMKNODHYDDANWFH-VHSXEESVSA-N
MW223.25 g/mol
LogP1.95
Rot. Bonds3

About trans-(1R,2R)-2-(2-fluorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide

trans-(1R,2R)-2-(2-fluorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide (PubChem CID 90220082) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2-fluorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2-fluorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide
PubChem CID90220082
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Nametrans-(1R,2R)-2-(2-fluorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)[C@@H]1C[C@H]1c1ccccc1F
InChIInChI=1S/C12H14FNO2/c1-14(16-2)12(15)10-7-9(10)8-5-3-4-6-11(8)13/h3-6,9-10H,7H2,1-2H3/t9-,10+/m0/s1
InChIKeyMKNODHYDDANWFH-VHSXEESVSA-N
XLogP1.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 134054644
tert-butyl 3-fluoro-4-[2-[methoxy(methyl)carbamoyl]cyclopropyl]benzoate
CID 135349542
trans-(1R,2R)-2-(4-chlorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 45026975
trans-(1S,2S)-N-benzylsulfonyl-2-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 96997634
2-(4-chlorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide;ethane
CID 142901928
cis-(1S,2R)-N-ethoxy-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 52544721
N-methoxy-2-(3-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 22347517
cis-(1S,2R)-2-(2-fluorophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclopropane-1-carboxamide
CID 52544642
trans-(1S,2S)-2-benzoyl-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 102245107
2-(2,5-difluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide
CID 126784599
methyl 2-(2-fluorophenyl)cyclohexane-1-carboxylate
CID 82243393
N-cyclopropyl-2-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
CID 134004598

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2-fluorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(2-fluorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide (CID 90220082) is trans-(1R,2R)-2-(2-fluorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(2-fluorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(2-fluorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide is CON(C)C(=O)[C@@H]1C[C@H]1c1ccccc1F.
What is the InChIKey of trans-(1R,2R)-2-(2-fluorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide?
The InChIKey is MKNODHYDDANWFH-VHSXEESVSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-14(16-2)12(15)10-7-9(10)8-5-3-4-6-11(8)13/h3-6,9-10H,7H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(2-fluorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide?
trans-(1R,2R)-2-(2-fluorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide has a molecular weight of 223.25 g/mol, XLogP of 1.95, 3 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-fluorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 90220082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).