N,N-diethyl-2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanamide

C15H22FNO3 — CID 107719457

IUPACN,N-diethyl-2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanamide
SMILESCCN(CC)C(=O)C(C)Oc1ccc(C(C)O)c(F)c1
InChIInChI=1S/C15H22FNO3/c1-5-17(6-2)15(19)11(4)20-12-7-8-13(10(3)18)14(16)9-12/h7-11,18H,5-6H2,1-4H3
InChIKeyXCDBYQPAJKKZMM-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.51
Rot. Bonds6

About N,N-diethyl-2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanamide

N,N-diethyl-2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanamide (PubChem CID 107719457) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is N,N-diethyl-2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanamide
PubChem CID107719457
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC NameN,N-diethyl-2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanamide
SMILESCCN(CC)C(=O)C(C)Oc1ccc(C(C)O)c(F)c1
InChIInChI=1S/C15H22FNO3/c1-5-17(6-2)15(19)11(4)20-12-7-8-13(10(3)18)14(16)9-12/h7-11,18H,5-6H2,1-4H3
InChIKeyXCDBYQPAJKKZMM-UHFFFAOYSA-N
XLogP2.51
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]propanoate
CID 107720057
N,N-diethyl-2-[5-fluoro-2-(1-hydroxyethyl)phenoxy]propanamide
CID 63067505
2-[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylpropanamide
CID 107720399
(1R)-1-[4-(difluoromethoxy)-2-fluorophenyl]ethanol
CID 107720298
(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide
CID 40538344
2-(4-tert-butylphenoxy)-N,N-diethylpropanamide
CID 19204171
(2R)-2-(3,5-dimethylphenoxy)-N,N-diethylpropanamide
CID 9173438
N-ethyl-2-(4-fluorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 115771406
2-[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 107720649
2-[4-[(1S)-1-aminoethyl]phenoxy]-N,N-diethylpropanamide
CID 63367483
N,N-diethyl-2-(3-methoxyphenoxy)propanamide
CID 19203980
N,N-diethyl-2-(7-hydroxynaphthalen-2-yl)oxypropanamide
CID 43143630

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanamide?
The IUPAC name of N,N-diethyl-2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanamide (CID 107719457) is N,N-diethyl-2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanamide.
What is the SMILES notation for N,N-diethyl-2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanamide?
The canonical SMILES for N,N-diethyl-2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanamide is CCN(CC)C(=O)C(C)Oc1ccc(C(C)O)c(F)c1.
What is the InChIKey of N,N-diethyl-2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanamide?
The InChIKey is XCDBYQPAJKKZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-5-17(6-2)15(19)11(4)20-12-7-8-13(10(3)18)14(16)9-12/h7-11,18H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanamide?
N,N-diethyl-2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanamide has a molecular weight of 283.34 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanamide is sourced from PubChem (CID 107719457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).