1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(4-propan-2-ylphenyl)urea

C24H32FN3O2 — CID 42701502

IUPAC1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(4-propan-2-ylphenyl)urea
SMILESCC(C)c1ccc(NC(=O)N(CCCN2CCOCC2)Cc2ccccc2F)cc1
InChIInChI=1S/C24H32FN3O2/c1-19(2)20-8-10-22(11-9-20)26-24(29)28(18-21-6-3-4-7-23(21)25)13-5-12-27-14-16-30-17-15-27/h3-4,6-11,19H,5,12-18H2,1-2H3,(H,26,29)
InChIKeyXQLNFQHWAKOEHM-UHFFFAOYSA-N
MW413.54 g/mol
LogP4.71
Rot. Bonds8

About 1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(4-propan-2-ylphenyl)urea

1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(4-propan-2-ylphenyl)urea (PubChem CID 42701502) has the molecular formula C24H32FN3O2 and a molecular weight of 413.54 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(4-propan-2-ylphenyl)urea
PubChem CID42701502
Molecular FormulaC24H32FN3O2
Molecular Weight413.54 g/mol
Exact Mass413.25
IUPAC Name1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(4-propan-2-ylphenyl)urea
SMILESCC(C)c1ccc(NC(=O)N(CCCN2CCOCC2)Cc2ccccc2F)cc1
InChIInChI=1S/C24H32FN3O2/c1-19(2)20-8-10-22(11-9-20)26-24(29)28(18-21-6-3-4-7-23(21)25)13-5-12-27-14-16-30-17-15-27/h3-4,6-11,19H,5,12-18H2,1-2H3,(H,26,29)
InChIKeyXQLNFQHWAKOEHM-UHFFFAOYSA-N
XLogP4.71
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(4-propan-2-ylphenyl)urea 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

1-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(4-propan-2-ylphenyl)urea
CID 17042756
1-benzyl-3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)urea
CID 3249090
1-(2-morpholin-4-ylethyl)-1-[(4-phenylmethoxyphenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 42698254
3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 5011395
1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 4059568
N-(2-aminophenyl)-4-[[(4-aminophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]methyl]benzamide
CID 58000981
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113162237
methyl 4-[[(2-chlorophenyl)methyl-(3-morpholin-4-ylpropyl)carbamothioyl]amino]benzoate
CID 44668843
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
1-(3-morpholin-4-ylpropyl)-3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]urea
CID 42701155
1-[[4-(dimethylamino)phenyl]methyl]-3-[2,6-di(propan-2-yl)phenyl]-1-(3-morpholin-4-ylpropyl)urea
CID 42701635

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(4-propan-2-ylphenyl)urea (CID 42701502) is 1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(4-propan-2-ylphenyl)urea is CC(C)c1ccc(NC(=O)N(CCCN2CCOCC2)Cc2ccccc2F)cc1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(4-propan-2-ylphenyl)urea?
The InChIKey is XQLNFQHWAKOEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O2/c1-19(2)20-8-10-22(11-9-20)26-24(29)28(18-21-6-3-4-7-23(21)25)13-5-12-27-14-16-30-17-15-27/h3-4,6-11,19H,5,12-18H2,1-2H3,(H,26,29).
What are the key properties of 1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(4-propan-2-ylphenyl)urea?
1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(4-propan-2-ylphenyl)urea has a molecular weight of 413.54 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 42701502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).