2-[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylpropanamide

C16H24FNO3 — CID 107720399

IUPAC2-[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Oc1ccc([C@H](C)O)c(F)c1
InChIInChI=1S/C16H24FNO3/c1-5-6-10(2)18-16(20)12(4)21-13-7-8-14(11(3)19)15(17)9-13/h7-12,19H,5-6H2,1-4H3,(H,18,20)/t10?,11-,12?/m0/s1
InChIKeyXSRHEWFHFJJRNU-CXQJBGSLSA-N
MW297.37 g/mol
LogP2.95
Rot. Bonds7

About 2-[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylpropanamide

2-[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylpropanamide (PubChem CID 107720399) has the molecular formula C16H24FNO3 and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylpropanamide
PubChem CID107720399
Molecular FormulaC16H24FNO3
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name2-[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Oc1ccc([C@H](C)O)c(F)c1
InChIInChI=1S/C16H24FNO3/c1-5-6-10(2)18-16(20)12(4)21-13-7-8-14(11(3)19)15(17)9-13/h7-12,19H,5-6H2,1-4H3,(H,18,20)/t10?,11-,12?/m0/s1
InChIKeyXSRHEWFHFJJRNU-CXQJBGSLSA-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

ethyl 2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]propanoate
CID 107720057
2-[(6-fluoro-3-pyridinyl)oxy]-N-pentan-2-ylpropanamide
CID 113296486
N,N-diethyl-2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanamide
CID 107719457
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-pentan-3-ylpropanamide
CID 107718581
2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-butylpropanamide
CID 107715865
(2S)-2-(3-methoxyphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 99953946
N-cyclopentyl-2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanamide
CID 107719756
(2R)-N-[(2S)-pentan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558239
(2S)-N-[(2S)-pentan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558253
2-methyl-4-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxybenzoic acid
CID 107671023
2-[4-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxyphenyl]acetic acid
CID 43113710
(1R)-1-[4-(difluoromethoxy)-2-fluorophenyl]ethanol
CID 107720298

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylpropanamide?
The IUPAC name of 2-[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylpropanamide (CID 107720399) is 2-[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)Oc1ccc([C@H](C)O)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylpropanamide?
The InChIKey is XSRHEWFHFJJRNU-CXQJBGSLSA-N. The full InChI is InChI=1S/C16H24FNO3/c1-5-6-10(2)18-16(20)12(4)21-13-7-8-14(11(3)19)15(17)9-13/h7-12,19H,5-6H2,1-4H3,(H,18,20)/t10?,11-,12?/m0/s1.
What are the key properties of 2-[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylpropanamide?
2-[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-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-[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylpropanamide is sourced from PubChem (CID 107720399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).