3-(3-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenylmethoxyphenyl)methyl]urea

C28H32FN3O3 — CID 42705031

IUPAC3-(3-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenylmethoxyphenyl)methyl]urea
SMILESO=C(Nc1cccc(F)c1)N(CCCN1CCOCC1)Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C28H32FN3O3/c29-25-10-5-11-26(20-25)30-28(33)32(14-6-13-31-15-17-34-18-16-31)21-24-9-4-12-27(19-24)35-22-23-7-2-1-3-8-23/h1-5,7-12,19-20H,6,13-18,21-22H2,(H,30,33)
InChIKeyFDYWGSZDRTWUPV-UHFFFAOYSA-N
MW477.58 g/mol
LogP5.16
Rot. Bonds10

About 3-(3-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenylmethoxyphenyl)methyl]urea

3-(3-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenylmethoxyphenyl)methyl]urea (PubChem CID 42705031) has the molecular formula C28H32FN3O3 and a molecular weight of 477.58 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenylmethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenylmethoxyphenyl)methyl]urea
PubChem CID42705031
Molecular FormulaC28H32FN3O3
Molecular Weight477.58 g/mol
Exact Mass477.24
IUPAC Name3-(3-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenylmethoxyphenyl)methyl]urea
SMILESO=C(Nc1cccc(F)c1)N(CCCN1CCOCC1)Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C28H32FN3O3/c29-25-10-5-11-26(20-25)30-28(33)32(14-6-13-31-15-17-34-18-16-31)21-24-9-4-12-27(19-24)35-22-23-7-2-1-3-8-23/h1-5,7-12,19-20H,6,13-18,21-22H2,(H,30,33)
InChIKeyFDYWGSZDRTWUPV-UHFFFAOYSA-N
XLogP5.16
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.58
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenylmethoxyphenyl)methyl]urea with MolForge

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Related Compounds

1-(3-morpholin-4-ylpropyl)-3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]urea
CID 42701155
ethyl 4-[[3-morpholin-4-ylpropyl-[(3-phenylmethoxyphenyl)methyl]carbamoyl]amino]benzoate
CID 42705029
3-(3-chlorophenyl)-1-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 4184098
3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42701222
4-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 42705023
N-benzyl-2-[(3-fluorophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4255945
N-(2-morpholin-4-ylethyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 42704967
3-(2,4-difluorophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42697900
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-fluorophenyl)-1-[(3-phenylmethoxyphenyl)methyl]urea
CID 42707828
3-(2,3-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42701220
3-(4-bromophenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42697897
3-(2,6-dimethylphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 42708434

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenylmethoxyphenyl)methyl]urea?
The IUPAC name of 3-(3-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenylmethoxyphenyl)methyl]urea (CID 42705031) is 3-(3-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenylmethoxyphenyl)methyl]urea.
What is the SMILES notation for 3-(3-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenylmethoxyphenyl)methyl]urea?
The canonical SMILES for 3-(3-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenylmethoxyphenyl)methyl]urea is O=C(Nc1cccc(F)c1)N(CCCN1CCOCC1)Cc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 3-(3-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenylmethoxyphenyl)methyl]urea?
The InChIKey is FDYWGSZDRTWUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN3O3/c29-25-10-5-11-26(20-25)30-28(33)32(14-6-13-31-15-17-34-18-16-31)21-24-9-4-12-27(19-24)35-22-23-7-2-1-3-8-23/h1-5,7-12,19-20H,6,13-18,21-22H2,(H,30,33).
What are the key properties of 3-(3-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenylmethoxyphenyl)methyl]urea?
3-(3-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenylmethoxyphenyl)methyl]urea has a molecular weight of 477.58 g/mol, XLogP of 5.16, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenylmethoxyphenyl)methyl]urea is sourced from PubChem (CID 42705031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).