2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide

C14H20FNO2 — CID 53282042

IUPAC2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Oc1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-4-12(5-2)16-14(17)10(3)18-13-8-6-11(15)7-9-13/h6-10,12H,4-5H2,1-3H3,(H,16,17)
InChIKeySHEVWIYFYBAEHV-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.90
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide

2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide (PubChem CID 53282042) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide
PubChem CID53282042
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Oc1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-4-12(5-2)16-14(17)10(3)18-13-8-6-11(15)7-9-13/h6-10,12H,4-5H2,1-3H3,(H,16,17)
InChIKeySHEVWIYFYBAEHV-UHFFFAOYSA-N
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxybenzoic acid
CID 43113684
(2R)-2-(4-fluorophenoxy)-N-propan-2-ylpropanamide
CID 94335659
2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide
CID 63364137
N-[(2R)-1-hydroxybutan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 103920282
2-[4-[(1S)-1-aminopropyl]phenoxy]-N-pentan-3-ylpropanamide
CID 63367662
N-[(2R)-1-hydroxybutan-2-yl]-2-phenoxypropanamide
CID 103920159
2-[4-(2-hydroxypropyl)phenoxy]-N-pentan-3-ylpropanamide
CID 115495748
2-(4-chlorophenoxy)-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920103
2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 43417847
(2S)-2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-3-methylbutanoic acid
CID 92921466
(2R)-2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-3-methylbutanoic acid
CID 92921464
2-(4-fluorophenoxy)-N-propylpropanamide
CID 21366860

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide (CID 53282042) is 2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)Oc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide?
The InChIKey is SHEVWIYFYBAEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-4-12(5-2)16-14(17)10(3)18-13-8-6-11(15)7-9-13/h6-10,12H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide?
2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide has a molecular weight of 253.32 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide is sourced from PubChem (CID 53282042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).