2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide

C16H24FNO3 — CID 78934187

IUPAC2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Oc1cc(F)ccc1[C@@H](C)O
InChIInChI=1S/C16H24FNO3/c1-5-13(6-2)18-16(20)11(4)21-15-9-12(17)7-8-14(15)10(3)19/h7-11,13,19H,5-6H2,1-4H3,(H,18,20)/t10-,11?/m1/s1
InChIKeyOHUDBQJPNDNVAX-NFJWQWPMSA-N
MW297.37 g/mol
LogP2.95
Rot. Bonds7

About 2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide

2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide (PubChem CID 78934187) has the molecular formula C16H24FNO3 and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide
PubChem CID78934187
Molecular FormulaC16H24FNO3
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Oc1cc(F)ccc1[C@@H](C)O
InChIInChI=1S/C16H24FNO3/c1-5-13(6-2)18-16(20)11(4)21-15-9-12(17)7-8-14(15)10(3)19/h7-11,13,19H,5-6H2,1-4H3,(H,18,20)/t10-,11?/m1/s1
InChIKeyOHUDBQJPNDNVAX-NFJWQWPMSA-N
XLogP2.95
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-pentan-3-ylpropanamide
CID 63367985
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-butan-2-ylpropanamide
CID 63368153
2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 63366211
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-pentan-3-ylpropanamide
CID 107700380
2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide
CID 53282042
2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 63366141
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-(methylcarbamoyl)propanamide
CID 63366328
N,N-diethyl-2-[5-fluoro-2-(1-hydroxyethyl)phenoxy]propanamide
CID 63067505
2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-pentan-3-ylpropanamide
CID 63366476
2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxy-4-fluorobenzoic acid
CID 107014270
2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 43417847
2-[2-[(1R)-1-aminoethyl]phenoxy]-N-pentan-3-ylpropanamide
CID 63366990

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide (CID 78934187) is 2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)Oc1cc(F)ccc1[C@@H](C)O.
What is the InChIKey of 2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide?
The InChIKey is OHUDBQJPNDNVAX-NFJWQWPMSA-N. The full InChI is InChI=1S/C16H24FNO3/c1-5-13(6-2)18-16(20)11(4)21-15-9-12(17)7-8-14(15)10(3)19/h7-11,13,19H,5-6H2,1-4H3,(H,18,20)/t10-,11?/m1/s1.
What are the key properties of 2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide?
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide has a molecular weight of 297.37 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 78934187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).