1-(2-fluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide

C12H14FNO — CID 110485219

IUPAC1-(2-fluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide
SMILESCN(C)C(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C12H14FNO/c1-14(2)11(15)12(7-8-12)9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3
InChIKeyOSEPLHRLUINAGT-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.95
Rot. Bonds2

About 1-(2-fluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide

1-(2-fluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide (PubChem CID 110485219) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide
PubChem CID110485219
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name1-(2-fluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide
SMILESCN(C)C(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C12H14FNO/c1-14(2)11(15)12(7-8-12)9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3
InChIKeyOSEPLHRLUINAGT-UHFFFAOYSA-N
XLogP1.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide (CID 110485219) is 1-(2-fluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide is CN(C)C(=O)C1(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide?
The InChIKey is OSEPLHRLUINAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-14(2)11(15)12(7-8-12)9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide?
1-(2-fluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide has a molecular weight of 207.25 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 110485219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).