2-(4-chloro-3-fluorophenoxy)-2-fluoro-1-[2-[[4-(phenylmethoxymethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone

C23H23ClF2N4O4 — CID 167873498

IUPAC2-(4-chloro-3-fluorophenoxy)-2-fluoro-1-[2-[[4-(phenylmethoxymethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone
SMILESO=C(C(F)Oc1ccc(Cl)c(F)c1)N1CCOC(Cn2cc(COCc3ccccc3)nn2)C1
InChIInChI=1S/C23H23ClF2N4O4/c24-20-7-6-18(10-21(20)25)34-22(26)23(31)29-8-9-33-19(12-29)13-30-11-17(27-28-30)15-32-14-16-4-2-1-3-5-16/h1-7,10-11,19,22H,8-9,12-15H2
InChIKeyOBNWDWWYUAUOOC-UHFFFAOYSA-N
MW492.91 g/mol
LogP3.39
Rot. Bonds9

About 2-(4-chloro-3-fluorophenoxy)-2-fluoro-1-[2-[[4-(phenylmethoxymethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone

2-(4-chloro-3-fluorophenoxy)-2-fluoro-1-[2-[[4-(phenylmethoxymethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone (PubChem CID 167873498) has the molecular formula C23H23ClF2N4O4 and a molecular weight of 492.91 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-2-fluoro-1-[2-[[4-(phenylmethoxymethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-2-fluoro-1-[2-[[4-(phenylmethoxymethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone
PubChem CID167873498
Molecular FormulaC23H23ClF2N4O4
Molecular Weight492.91 g/mol
Exact Mass492.14
IUPAC Name2-(4-chloro-3-fluorophenoxy)-2-fluoro-1-[2-[[4-(phenylmethoxymethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone
SMILESO=C(C(F)Oc1ccc(Cl)c(F)c1)N1CCOC(Cn2cc(COCc3ccccc3)nn2)C1
InChIInChI=1S/C23H23ClF2N4O4/c24-20-7-6-18(10-21(20)25)34-22(26)23(31)29-8-9-33-19(12-29)13-30-11-17(27-28-30)15-32-14-16-4-2-1-3-5-16/h1-7,10-11,19,22H,8-9,12-15H2
InChIKeyOBNWDWWYUAUOOC-UHFFFAOYSA-N
XLogP3.39
TPSA78.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.91
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(4-chloro-3-fluorophenoxy)-2-fluoro-1-[2-[[4-(phenylmethoxymethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone 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

2-(4-chloro-3-fluorophenoxy)-1-[2-[[4-(2-phenoxyethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone
CID 167810232
2-(4-chloro-3-fluorophenoxy)-1-[(3S)-3-[4-[(4-chlorophenoxy)methyl]triazol-1-yl]pyrrolidin-1-yl]-2-fluoroethanone
CID 154877223
1-[[1-[(4-benzyl-1,4-oxazepan-2-yl)methyl]triazol-4-yl]methyl]indole-2-carboxylic acid
CID 166402578
2-(3,4-difluorophenoxy)-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone
CID 138026114
2-(4-chlorophenoxy)-1-[2-[[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]triazol-4-yl]methyl]morpholin-4-yl]ethanone
CID 154877226
benzyl N-[1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-1-oxopropan-2-yl]carbamate
CID 46100288
(2S)-1-[(2R)-2-[(4-chloro-3-methylphenoxy)methyl]morpholin-4-yl]-2-(2-chlorophenoxy)propan-1-one
CID 92759978
1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylmethoxypropan-1-one
CID 81208321
(2,6-difluoro-4-methoxyphenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 92758340
2-[4-(phenylmethoxymethyl)triazol-1-yl]oxane-3,4,5-triol
CID 59360693
(2S,3R,4S,5R)-2-[4-(phenylmethoxymethyl)triazol-1-yl]oxane-3,4,5-triol
CID 25011962
1-[4-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone
CID 42861511

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-2-fluoro-1-[2-[[4-(phenylmethoxymethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-2-fluoro-1-[2-[[4-(phenylmethoxymethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone (CID 167873498) is 2-(4-chloro-3-fluorophenoxy)-2-fluoro-1-[2-[[4-(phenylmethoxymethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-2-fluoro-1-[2-[[4-(phenylmethoxymethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-2-fluoro-1-[2-[[4-(phenylmethoxymethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone is O=C(C(F)Oc1ccc(Cl)c(F)c1)N1CCOC(Cn2cc(COCc3ccccc3)nn2)C1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-2-fluoro-1-[2-[[4-(phenylmethoxymethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone?
The InChIKey is OBNWDWWYUAUOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF2N4O4/c24-20-7-6-18(10-21(20)25)34-22(26)23(31)29-8-9-33-19(12-29)13-30-11-17(27-28-30)15-32-14-16-4-2-1-3-5-16/h1-7,10-11,19,22H,8-9,12-15H2.
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-2-fluoro-1-[2-[[4-(phenylmethoxymethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone?
2-(4-chloro-3-fluorophenoxy)-2-fluoro-1-[2-[[4-(phenylmethoxymethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone has a molecular weight of 492.91 g/mol, XLogP of 3.39, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-2-fluoro-1-[2-[[4-(phenylmethoxymethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 167873498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).