N-[3-(2-fluoroethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide

C14H18FNO2 — CID 136517303

IUPACN-[3-(2-fluoroethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1cccc(OCCF)c1
InChIInChI=1S/C14H18FNO2/c1-14(2)9-12(14)13(17)16-10-4-3-5-11(8-10)18-7-6-15/h3-5,8,12H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyIHYNCUZXOKQVGF-UHFFFAOYSA-N
MW251.30 g/mol
LogP3.02
Rot. Bonds5

About N-[3-(2-fluoroethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide

N-[3-(2-fluoroethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 136517303) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is N-[3-(2-fluoroethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2-fluoroethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID136517303
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC NameN-[3-(2-fluoroethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1cccc(OCCF)c1
InChIInChI=1S/C14H18FNO2/c1-14(2)9-12(14)13(17)16-10-4-3-5-11(8-10)18-7-6-15/h3-5,8,12H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyIHYNCUZXOKQVGF-UHFFFAOYSA-N
XLogP3.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2-fluoroethoxy)phenyl]carbamoyl chloride
CID 130015965
N-[3-(2-fluoroethoxy)phenyl]piperidine-2-carboxamide
CID 119337980
N-[3-(2-fluoroethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119337978
2-amino-N-[3-(2-fluoroethoxy)phenyl]acetamide;hydrochloride
CID 119337987
N-[3-(2-fluoroethoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119808988
(2R)-2-amino-N-[3-(2-fluoroethoxy)phenyl]propanamide
CID 119337996
N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103837156
3-amino-N-[3-(2-fluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119808982
N-[3-(2-fluoroethoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 126775656
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
(3aR,6aR)-N-[3-(2-fluoroethoxy)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 97225832
1-[[3-(2-fluoroethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122086770

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluoroethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-(2-fluoroethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide (CID 136517303) is N-[3-(2-fluoroethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(2-fluoroethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(2-fluoroethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)CC1C(=O)Nc1cccc(OCCF)c1.
What is the InChIKey of N-[3-(2-fluoroethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is IHYNCUZXOKQVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-14(2)9-12(14)13(17)16-10-4-3-5-11(8-10)18-7-6-15/h3-5,8,12H,6-7,9H2,1-2H3,(H,16,17).
What are the key properties of N-[3-(2-fluoroethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide?
N-[3-(2-fluoroethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 251.30 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluoroethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 136517303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).