cis-(1S,2R)-N-ethoxy-2-(2-fluorophenyl)cyclopropane-1-carboxamide

C12H14FNO2 — CID 52544721

IUPACcis-(1S,2R)-N-ethoxy-2-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESCCONC(=O)[C@H]1C[C@H]1c1ccccc1F
InChIInChI=1S/C12H14FNO2/c1-2-16-14-12(15)10-7-9(10)8-5-3-4-6-11(8)13/h3-6,9-10H,2,7H2,1H3,(H,14,15)/t9-,10-/m0/s1
InChIKeyMTQHHQCOKDUHSI-UWVGGRQHSA-N
MW223.25 g/mol
LogP2.00
Rot. Bonds4

About cis-(1S,2R)-N-ethoxy-2-(2-fluorophenyl)cyclopropane-1-carboxamide

cis-(1S,2R)-N-ethoxy-2-(2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 52544721) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is cis-(1S,2R)-N-ethoxy-2-(2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-ethoxy-2-(2-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID52544721
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Namecis-(1S,2R)-N-ethoxy-2-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESCCONC(=O)[C@H]1C[C@H]1c1ccccc1F
InChIInChI=1S/C12H14FNO2/c1-2-16-14-12(15)10-7-9(10)8-5-3-4-6-11(8)13/h3-6,9-10H,2,7H2,1H3,(H,14,15)/t9-,10-/m0/s1
InChIKeyMTQHHQCOKDUHSI-UWVGGRQHSA-N
XLogP2.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-ethoxy-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-ethoxy-2-(2-fluorophenyl)cyclopropane-1-carboxamide (CID 52544721) is cis-(1S,2R)-N-ethoxy-2-(2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-ethoxy-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-ethoxy-2-(2-fluorophenyl)cyclopropane-1-carboxamide is CCONC(=O)[C@H]1C[C@H]1c1ccccc1F.
What is the InChIKey of cis-(1S,2R)-N-ethoxy-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is MTQHHQCOKDUHSI-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-2-16-14-12(15)10-7-9(10)8-5-3-4-6-11(8)13/h3-6,9-10H,2,7H2,1H3,(H,14,15)/t9-,10-/m0/s1.
What are the key properties of cis-(1S,2R)-N-ethoxy-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
cis-(1S,2R)-N-ethoxy-2-(2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 223.25 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-ethoxy-2-(2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 52544721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).