N-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide

C13H16FNO2 — CID 64853538

IUPACN-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide
SMILESCc1ccc(F)c(OCCC(=O)NC2CC2)c1
InChIInChI=1S/C13H16FNO2/c1-9-2-5-11(14)12(8-9)17-7-6-13(16)15-10-3-4-10/h2,5,8,10H,3-4,6-7H2,1H3,(H,15,16)
InChIKeyYJRVPISSAKTDGS-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.18
Rot. Bonds5

About N-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide

N-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide (PubChem CID 64853538) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is N-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide
PubChem CID64853538
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC NameN-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide
SMILESCc1ccc(F)c(OCCC(=O)NC2CC2)c1
InChIInChI=1S/C13H16FNO2/c1-9-2-5-11(14)12(8-9)17-7-6-13(16)15-10-3-4-10/h2,5,8,10H,3-4,6-7H2,1H3,(H,15,16)
InChIKeyYJRVPISSAKTDGS-UHFFFAOYSA-N
XLogP2.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propanamide
CID 62628086
4-[3-(cyclopropylamino)-3-oxopropoxy]-3-fluorobenzoic acid
CID 107690083
cis-(1R,3S)-3-[3-(2,5-dimethylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678903
cis-(1S,3R)-3-[3-(2,5-dimethylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120676845
N-cyclopropyl-3-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]propanamide
CID 62628087
3-(2-acetyl-4-chlorophenoxy)-N-cyclopropylpropanamide
CID 62628472
2-(cyclopropylamino)-4-(2-fluoro-5-methylphenoxy)-2-methylbutanoic acid
CID 64854287
3-[2-(2-aminobutyl)-4-methylphenoxy]-N-cyclopropylpropanamide
CID 63326041
4-chloro-2-[3-(cyclopropylamino)-3-oxopropoxy]benzoic acid
CID 55098633
N-[2-(2-fluoro-5-methylphenoxy)ethyl]cyclopentanamine
CID 64854315
3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-cyclopropylpropanamide
CID 62626106
3-[2-(1-aminoethyl)-5-fluorophenoxy]-N-cyclopropylpropanamide
CID 55148220

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide?
The IUPAC name of N-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide (CID 64853538) is N-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide?
The canonical SMILES for N-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide is Cc1ccc(F)c(OCCC(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide?
The InChIKey is YJRVPISSAKTDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-9-2-5-11(14)12(8-9)17-7-6-13(16)15-10-3-4-10/h2,5,8,10H,3-4,6-7H2,1H3,(H,15,16).
What are the key properties of N-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide?
N-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide has a molecular weight of 237.27 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide is sourced from PubChem (CID 64853538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).