1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea

C20H25FN2O — CID 113213370

IUPAC1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea
SMILESCC(C)(CNC(=O)NCCCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C20H25FN2O/c1-20(2,17-10-12-18(21)13-11-17)15-23-19(24)22-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13H,6,9,14-15H2,1-2H3,(H2,22,23,24)
InChIKeyZKUDEFLDBCMEQR-UHFFFAOYSA-N
MW328.43 g/mol
LogP4.04
Rot. Bonds7

About 1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea

1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea (PubChem CID 113213370) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea
PubChem CID113213370
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC Name1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea
SMILESCC(C)(CNC(=O)NCCCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C20H25FN2O/c1-20(2,17-10-12-18(21)13-11-17)15-23-19(24)22-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13H,6,9,14-15H2,1-2H3,(H2,22,23,24)
InChIKeyZKUDEFLDBCMEQR-UHFFFAOYSA-N
XLogP4.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoylamino]propanoic acid
CID 122000714
3-hydroxy-3-methyl-4-(3-phenylpropylcarbamoylamino)butanoic acid
CID 66001412
1-[2-(2-fluorophenyl)-2-methylpropyl]-3-[3-(4-hydroxyphenyl)propyl]urea
CID 86973255
1-benzyl-3-(2-methyl-2-phenylpropyl)urea
CID 38887064
1-(4-tert-butylphenyl)-3-(3-phenylpropyl)urea
CID 108884934
1-ethyl-3-(3-phenylpropyl)urea
CID 11769661
1-(2,2-dimethylpropyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 110754997
2-(4-fluorophenyl)-2-methyl-N-(2-phenylethyl)propanamide
CID 113197365
1-[2-(4-ethylphenyl)-2-methylpropyl]-3-(3-hydroxypropyl)urea
CID 111861314
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea
CID 95983781
1-(2-methyl-2-phenylpropyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 35664316
1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-morpholin-4-ylethyl)urea
CID 113213344

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea (CID 113213370) is 1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea is CC(C)(CNC(=O)NCCCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea?
The InChIKey is ZKUDEFLDBCMEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-20(2,17-10-12-18(21)13-11-17)15-23-19(24)22-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13H,6,9,14-15H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea?
1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea has a molecular weight of 328.43 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea is sourced from PubChem (CID 113213370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).