N-[1-(2-fluorophenyl)cyclopropyl]propanamide

C12H14FNO — CID 110477459

IUPACN-[1-(2-fluorophenyl)cyclopropyl]propanamide
SMILESCCC(=O)NC1(c2ccccc2F)CC1
InChIInChI=1S/C12H14FNO/c1-2-11(15)14-12(7-8-12)9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3,(H,14,15)
InChIKeyPEKIYXNPCGNBTD-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.34
Rot. Bonds3

About N-[1-(2-fluorophenyl)cyclopropyl]propanamide

N-[1-(2-fluorophenyl)cyclopropyl]propanamide (PubChem CID 110477459) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)cyclopropyl]propanamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)cyclopropyl]propanamide
PubChem CID110477459
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC NameN-[1-(2-fluorophenyl)cyclopropyl]propanamide
SMILESCCC(=O)NC1(c2ccccc2F)CC1
InChIInChI=1S/C12H14FNO/c1-2-11(15)14-12(7-8-12)9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3,(H,14,15)
InChIKeyPEKIYXNPCGNBTD-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)cyclopropyl]propanamide?
The IUPAC name of N-[1-(2-fluorophenyl)cyclopropyl]propanamide (CID 110477459) is N-[1-(2-fluorophenyl)cyclopropyl]propanamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)cyclopropyl]propanamide?
The canonical SMILES for N-[1-(2-fluorophenyl)cyclopropyl]propanamide is CCC(=O)NC1(c2ccccc2F)CC1.
What is the InChIKey of N-[1-(2-fluorophenyl)cyclopropyl]propanamide?
The InChIKey is PEKIYXNPCGNBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-2-11(15)14-12(7-8-12)9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3,(H,14,15).
What are the key properties of N-[1-(2-fluorophenyl)cyclopropyl]propanamide?
N-[1-(2-fluorophenyl)cyclopropyl]propanamide has a molecular weight of 207.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)cyclopropyl]propanamide is sourced from PubChem (CID 110477459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).