1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]urea

C22H26F3N3O3 — CID 55929677

IUPAC1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]urea
SMILESCC1CN(c2ccc(CNC(=O)NCC(O)c3ccc(F)cc3F)cc2F)CC(C)O1
InChIInChI=1S/C22H26F3N3O3/c1-13-11-28(12-14(2)31-13)20-6-3-15(7-19(20)25)9-26-22(30)27-10-21(29)17-5-4-16(23)8-18(17)24/h3-8,13-14,21,29H,9-12H2,1-2H3,(H2,26,27,30)
InChIKeyGPDZKGDZRJBRLD-UHFFFAOYSA-N
MW437.46 g/mol
LogP3.25
Rot. Bonds6

About 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]urea

1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]urea (PubChem CID 55929677) has the molecular formula C22H26F3N3O3 and a molecular weight of 437.46 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]urea.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]urea
PubChem CID55929677
Molecular FormulaC22H26F3N3O3
Molecular Weight437.46 g/mol
Exact Mass437.19
IUPAC Name1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]urea
SMILESCC1CN(c2ccc(CNC(=O)NCC(O)c3ccc(F)cc3F)cc2F)CC(C)O1
InChIInChI=1S/C22H26F3N3O3/c1-13-11-28(12-14(2)31-13)20-6-3-15(7-19(20)25)9-26-22(30)27-10-21(29)17-5-4-16(23)8-18(17)24/h3-8,13-14,21,29H,9-12H2,1-2H3,(H2,26,27,30)
InChIKeyGPDZKGDZRJBRLD-UHFFFAOYSA-N
XLogP3.25
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]urea with MolForge

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Related Compounds

1-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-[(2R)-2-hydroxypropyl]urea
CID 94679072
2-chloro-N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]acetamide
CID 96582200
1-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 55921434
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]cyclobutanecarboxamide
CID 47062619
N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-methylfuran-2-carboxamide
CID 94617347
1-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(2-pyridin-2-ylethyl)urea
CID 60546795
5-chloro-N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]furan-2-carboxamide
CID 55877945
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboxamide
CID 60551160
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3,4-dimethylbenzamide
CID 55876400
N-[3-[[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]carbamoylamino]methyl]phenyl]acetamide
CID 55747141
4-carbamothioyl-N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]benzamide
CID 94840333
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 55876538

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]urea?
The IUPAC name of 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]urea (CID 55929677) is 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]urea.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]urea?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]urea is CC1CN(c2ccc(CNC(=O)NCC(O)c3ccc(F)cc3F)cc2F)CC(C)O1.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]urea?
The InChIKey is GPDZKGDZRJBRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O3/c1-13-11-28(12-14(2)31-13)20-6-3-15(7-19(20)25)9-26-22(30)27-10-21(29)17-5-4-16(23)8-18(17)24/h3-8,13-14,21,29H,9-12H2,1-2H3,(H2,26,27,30).
What are the key properties of 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]urea?
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]urea has a molecular weight of 437.46 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]urea is sourced from PubChem (CID 55929677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).