3-(2,4-difluorophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea

C26H27F2N3O3 — CID 42697900

IUPAC3-(2,4-difluorophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea
SMILESO=C(Nc1ccc(F)cc1F)N(CCN1CCOCC1)Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C26H27F2N3O3/c27-21-9-10-25(24(28)18-21)29-26(32)31(12-11-30-13-15-33-16-14-30)19-20-5-4-8-23(17-20)34-22-6-2-1-3-7-22/h1-10,17-18H,11-16,19H2,(H,29,32)
InChIKeyFTZHYONTKNAERP-UHFFFAOYSA-N
MW467.52 g/mol
LogP5.12
Rot. Bonds8

About 3-(2,4-difluorophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea

3-(2,4-difluorophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea (PubChem CID 42697900) has the molecular formula C26H27F2N3O3 and a molecular weight of 467.52 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea
PubChem CID42697900
Molecular FormulaC26H27F2N3O3
Molecular Weight467.52 g/mol
Exact Mass467.20
IUPAC Name3-(2,4-difluorophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea
SMILESO=C(Nc1ccc(F)cc1F)N(CCN1CCOCC1)Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C26H27F2N3O3/c27-21-9-10-25(24(28)18-21)29-26(32)31(12-11-30-13-15-33-16-14-30)19-20-5-4-8-23(17-20)34-22-6-2-1-3-7-22/h1-10,17-18H,11-16,19H2,(H,29,32)
InChIKeyFTZHYONTKNAERP-UHFFFAOYSA-N
XLogP5.12
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.52
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,4-difluorophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea with MolForge

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Related Compounds

3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42697904
3-(4-bromophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42697897
3-(2,3-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42701220
3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42701222
3-(3-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenylmethoxyphenyl)methyl]urea
CID 42705031
N-(2-morpholin-4-ylethyl)-N-[(3-phenoxyphenyl)methyl]pentanamide
CID 42697864
methyl 3-[benzyl-[(2,4-difluorophenyl)carbamoyl]amino]propanoate
CID 42697996
N-(3-morpholin-4-ylpropyl)-N-[(3-phenoxyphenyl)methyl]butanamide
CID 42701309
3-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea
CID 110670194
N-(2-morpholin-4-ylethyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 42704967
1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 42723901
1-benzyl-3-(2,4-difluorophenyl)-1-ethylurea
CID 108989059

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea?
The IUPAC name of 3-(2,4-difluorophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea (CID 42697900) is 3-(2,4-difluorophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea.
What is the SMILES notation for 3-(2,4-difluorophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea?
The canonical SMILES for 3-(2,4-difluorophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea is O=C(Nc1ccc(F)cc1F)N(CCN1CCOCC1)Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-(2,4-difluorophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea?
The InChIKey is FTZHYONTKNAERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N3O3/c27-21-9-10-25(24(28)18-21)29-26(32)31(12-11-30-13-15-33-16-14-30)19-20-5-4-8-23(17-20)34-22-6-2-1-3-7-22/h1-10,17-18H,11-16,19H2,(H,29,32).
What are the key properties of 3-(2,4-difluorophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea?
3-(2,4-difluorophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea has a molecular weight of 467.52 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea is sourced from PubChem (CID 42697900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).