N-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)acetamide

C17H17F2NO3 — CID 94654317

IUPACN-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)NC[C@H](O)COc1cccc(F)c1
InChIInChI=1S/C17H17F2NO3/c18-13-5-3-6-15(9-13)23-11-14(21)10-20-17(22)8-12-4-1-2-7-16(12)19/h1-7,9,14,21H,8,10-11H2,(H,20,22)/t14-/m0/s1
InChIKeyKSAFSTCZDGKOCG-AWEZNQCLSA-N
MW321.32 g/mol
LogP2.06
Rot. Bonds7

About N-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)acetamide

N-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)acetamide (PubChem CID 94654317) has the molecular formula C17H17F2NO3 and a molecular weight of 321.32 g/mol. Its IUPAC name is N-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)acetamide
PubChem CID94654317
Molecular FormulaC17H17F2NO3
Molecular Weight321.32 g/mol
Exact Mass321.12
IUPAC NameN-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)NC[C@H](O)COc1cccc(F)c1
InChIInChI=1S/C17H17F2NO3/c18-13-5-3-6-15(9-13)23-11-14(21)10-20-17(22)8-12-4-1-2-7-16(12)19/h1-7,9,14,21H,8,10-11H2,(H,20,22)/t14-/m0/s1
InChIKeyKSAFSTCZDGKOCG-AWEZNQCLSA-N
XLogP2.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(3-fluorophenoxy)acetyl]-2-(2-fluorophenyl)acetohydrazide
CID 2670466
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-(2-methylphenyl)acetamide
CID 111110931
N-[3-(3-fluorophenoxy)-2-hydroxypropyl]-2,3-dimethylbenzamide
CID 51089018
N-[(2R)-3-(3-fluorophenoxy)-2-hydroxypropyl]-1-oxidopyridin-1-ium-3-carboxamide
CID 94654315
2-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]propanamide
CID 111110453
3-(3-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]butanamide
CID 111422356
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 46419114
2-(4-chlorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide
CID 110904498
1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea
CID 94031147
3-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]propanamide
CID 119319079
(E)-4-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-3-enamide
CID 111830233
1-(2,5-difluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110931993

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)acetamide (CID 94654317) is N-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)acetamide is O=C(Cc1ccccc1F)NC[C@H](O)COc1cccc(F)c1.
What is the InChIKey of N-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is KSAFSTCZDGKOCG-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17F2NO3/c18-13-5-3-6-15(9-13)23-11-14(21)10-20-17(22)8-12-4-1-2-7-16(12)19/h1-7,9,14,21H,8,10-11H2,(H,20,22)/t14-/m0/s1.
What are the key properties of N-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)acetamide?
N-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 321.32 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 94654317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).