N-[2-[(2S)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-fluorophenyl]acetamide;2,2,2-trifluoroacetic acid

C22H23ClF4N2O7 — CID 25125591

IUPACN-[2-[(2S)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-fluorophenyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)Nc1ccc(F)cc1OC[C@@H](O)CN1C[C@@H](Oc2ccc(Cl)cc2)CO1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H22ClFN2O5.C2HF3O2/c1-13(25)23-19-7-4-15(22)8-20(19)27-11-16(26)9-24-10-18(12-28-24)29-17-5-2-14(21)3-6-17;3-2(4,5)1(6)7/h2-8,16,18,26H,9-12H2,1H3,(H,23,25);(H,6,7)/t16-,18+;/m0./s1
InChIKeyUMAMVYWCLWIBNL-KUGOCAJQSA-N
MW538.88 g/mol
LogP3.51
Rot. Bonds8

About N-[2-[(2S)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-fluorophenyl]acetamide;2,2,2-trifluoroacetic acid

N-[2-[(2S)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-fluorophenyl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 25125591) has the molecular formula C22H23ClF4N2O7 and a molecular weight of 538.88 g/mol. Its IUPAC name is N-[2-[(2S)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-fluorophenyl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-[(2S)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-fluorophenyl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID25125591
Molecular FormulaC22H23ClF4N2O7
Molecular Weight538.88 g/mol
Exact Mass538.11
IUPAC NameN-[2-[(2S)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-fluorophenyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)Nc1ccc(F)cc1OC[C@@H](O)CN1C[C@@H](Oc2ccc(Cl)cc2)CO1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H22ClFN2O5.C2HF3O2/c1-13(25)23-19-7-4-15(22)8-20(19)27-11-16(26)9-24-10-18(12-28-24)29-17-5-2-14(21)3-6-17;3-2(4,5)1(6)7/h2-8,16,18,26H,9-12H2,1H3,(H,23,25);(H,6,7)/t16-,18+;/m0./s1
InChIKeyUMAMVYWCLWIBNL-KUGOCAJQSA-N
XLogP3.51
TPSA117.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.88
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-[(2S)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-fluorophenyl]acetamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(2S)-3-[(4S)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide
CID 25125590
N-[2-[(2R)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide
CID 69175831
(2S,4S)-1-[3-(2-acetamidophenoxy)-2-hydroxypropyl]-4-(4-chlorophenoxy)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 86759799
N-[4-fluoro-2-[3-[3-(4-fluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 10136007
N-[2-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 10159022
methyl (2S,4S)-1-[3-(2-acetamidophenoxy)-2-hydroxypropyl]-4-(4-chlorophenoxy)pyrrolidine-2-carboxylate;hydrochloride
CID 86759800
N-[2-[(2S)-3-[[(3S)-3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]amino]-2-hydroxypropoxy]-4-fluorophenyl]acetamide
CID 70041432
[2-[3-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]phenyl]urea;2,2,2-trifluoroacetic acid
CID 171923670
N-[2-[3-[(3S)-3-(4-chlorophenoxy)pyrrolidin-1-yl]-3-hydroxypropoxy]phenyl]acetamide;hydrochloride
CID 174457672
N-[2-[(2R)-3-(5-chlorospiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide;2,2,2-trifluoroacetic acid
CID 25057687
N-[2-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-4-methylphenyl]cyclobutanecarboxamide
CID 10226384
N-[2-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-4-methylphenyl]-2-pyrrolidin-1-ylacetamide
CID 139966276

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-fluorophenyl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-[(2S)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-fluorophenyl]acetamide;2,2,2-trifluoroacetic acid (CID 25125591) is N-[2-[(2S)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-fluorophenyl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-[(2S)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-fluorophenyl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-[(2S)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-fluorophenyl]acetamide;2,2,2-trifluoroacetic acid is CC(=O)Nc1ccc(F)cc1OC[C@@H](O)CN1C[C@@H](Oc2ccc(Cl)cc2)CO1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-[(2S)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-fluorophenyl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is UMAMVYWCLWIBNL-KUGOCAJQSA-N. The full InChI is InChI=1S/C20H22ClFN2O5.C2HF3O2/c1-13(25)23-19-7-4-15(22)8-20(19)27-11-16(26)9-24-10-18(12-28-24)29-17-5-2-14(21)3-6-17;3-2(4,5)1(6)7/h2-8,16,18,26H,9-12H2,1H3,(H,23,25);(H,6,7)/t16-,18+;/m0./s1.
What are the key properties of N-[2-[(2S)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-fluorophenyl]acetamide;2,2,2-trifluoroacetic acid?
N-[2-[(2S)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-fluorophenyl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 538.88 g/mol, XLogP of 3.51, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-fluorophenyl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 25125591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).