N-[(1S)-1-[4-[2-(2,4-difluorophenoxy)acetyl]phenyl]ethyl]acetamide

C18H17F2NO3 — CID 31804797

IUPACN-[(1S)-1-[4-[2-(2,4-difluorophenoxy)acetyl]phenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(C(=O)COc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H17F2NO3/c1-11(21-12(2)22)13-3-5-14(6-4-13)17(23)10-24-18-8-7-15(19)9-16(18)20/h3-9,11H,10H2,1-2H3,(H,21,22)/t11-/m0/s1
InChIKeyVBLVFNZUOVPJDZ-NSHDSACASA-N
MW333.33 g/mol
LogP3.42
Rot. Bonds6

About N-[(1S)-1-[4-[2-(2,4-difluorophenoxy)acetyl]phenyl]ethyl]acetamide

N-[(1S)-1-[4-[2-(2,4-difluorophenoxy)acetyl]phenyl]ethyl]acetamide (PubChem CID 31804797) has the molecular formula C18H17F2NO3 and a molecular weight of 333.33 g/mol. Its IUPAC name is N-[(1S)-1-[4-[2-(2,4-difluorophenoxy)acetyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[2-(2,4-difluorophenoxy)acetyl]phenyl]ethyl]acetamide
PubChem CID31804797
Molecular FormulaC18H17F2NO3
Molecular Weight333.33 g/mol
Exact Mass333.12
IUPAC NameN-[(1S)-1-[4-[2-(2,4-difluorophenoxy)acetyl]phenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(C(=O)COc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H17F2NO3/c1-11(21-12(2)22)13-3-5-14(6-4-13)17(23)10-24-18-8-7-15(19)9-16(18)20/h3-9,11H,10H2,1-2H3,(H,21,22)/t11-/m0/s1
InChIKeyVBLVFNZUOVPJDZ-NSHDSACASA-N
XLogP3.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9381401
2-(2,4-difluorophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856075
[2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-(2-carbamoylphenoxy)acetate
CID 9473965
1-(3-bromo-4-methoxyphenyl)-2-(2,4-difluorophenoxy)ethanone
CID 43218884
methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554
2-(2,4-difluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 46415294
2-(2-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 16546160
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride
CID 120507855
3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102
(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4-methylpentanoic acid
CID 78975765
2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 31849974
2-(2,4-difluorophenoxy)-N'-methylacetohydrazide
CID 116820700

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[2-(2,4-difluorophenoxy)acetyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[4-[2-(2,4-difluorophenoxy)acetyl]phenyl]ethyl]acetamide (CID 31804797) is N-[(1S)-1-[4-[2-(2,4-difluorophenoxy)acetyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-[2-(2,4-difluorophenoxy)acetyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[4-[2-(2,4-difluorophenoxy)acetyl]phenyl]ethyl]acetamide is CC(=O)N[C@@H](C)c1ccc(C(=O)COc2ccc(F)cc2F)cc1.
What is the InChIKey of N-[(1S)-1-[4-[2-(2,4-difluorophenoxy)acetyl]phenyl]ethyl]acetamide?
The InChIKey is VBLVFNZUOVPJDZ-NSHDSACASA-N. The full InChI is InChI=1S/C18H17F2NO3/c1-11(21-12(2)22)13-3-5-14(6-4-13)17(23)10-24-18-8-7-15(19)9-16(18)20/h3-9,11H,10H2,1-2H3,(H,21,22)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-[4-[2-(2,4-difluorophenoxy)acetyl]phenyl]ethyl]acetamide?
N-[(1S)-1-[4-[2-(2,4-difluorophenoxy)acetyl]phenyl]ethyl]acetamide has a molecular weight of 333.33 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-[2-(2,4-difluorophenoxy)acetyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 31804797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).