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

C20H25FN2O2 — CID 86973255

IUPAC1-[2-(2-fluorophenyl)-2-methylpropyl]-3-[3-(4-hydroxyphenyl)propyl]urea
SMILESCC(C)(CNC(=O)NCCCc1ccc(O)cc1)c1ccccc1F
InChIInChI=1S/C20H25FN2O2/c1-20(2,17-7-3-4-8-18(17)21)14-23-19(25)22-13-5-6-15-9-11-16(24)12-10-15/h3-4,7-12,24H,5-6,13-14H2,1-2H3,(H2,22,23,25)
InChIKeyPKVHWUVNHQYEQS-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.74
Rot. Bonds7

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

1-[2-(2-fluorophenyl)-2-methylpropyl]-3-[3-(4-hydroxyphenyl)propyl]urea (PubChem CID 86973255) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-2-methylpropyl]-3-[3-(4-hydroxyphenyl)propyl]urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-2-methylpropyl]-3-[3-(4-hydroxyphenyl)propyl]urea
PubChem CID86973255
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name1-[2-(2-fluorophenyl)-2-methylpropyl]-3-[3-(4-hydroxyphenyl)propyl]urea
SMILESCC(C)(CNC(=O)NCCCc1ccc(O)cc1)c1ccccc1F
InChIInChI=1S/C20H25FN2O2/c1-20(2,17-7-3-4-8-18(17)21)14-23-19(25)22-13-5-6-15-9-11-16(24)12-10-15/h3-4,7-12,24H,5-6,13-14H2,1-2H3,(H2,22,23,25)
InChIKeyPKVHWUVNHQYEQS-UHFFFAOYSA-N
XLogP3.74
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-[2-(2-fluorophenyl)-2-methylpropyl]urea
CID 56781513
1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea
CID 113213370
1-(2-hydroxy-3,3-dimethylbutyl)-3-[3-(4-hydroxyphenyl)propyl]urea
CID 111428404
1-[3-(4-hydroxyphenyl)propyl]-3-tridecylurea
CID 19597044
1-[3-(4-hydroxyphenyl)propyl]-3-tetradecylurea
CID 19597070
1-hexadecyl-3-[3-(4-hydroxyphenyl)propyl]urea
CID 19597093
1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 97428539
3-hydroxy-N-[3-(4-hydroxyphenyl)propyl]-3-phenylbutanamide
CID 110025454
N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride
CID 119766073
3-hydroxy-3-methyl-4-(3-phenylpropylcarbamoylamino)butanoic acid
CID 66001412
1-[3-(4-hydroxyphenyl)propyl]-3-(3-methyl-3-phenylbutan-2-yl)urea
CID 86973264
N-[4-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 51103819

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-2-methylpropyl]-3-[3-(4-hydroxyphenyl)propyl]urea?
The IUPAC name of 1-[2-(2-fluorophenyl)-2-methylpropyl]-3-[3-(4-hydroxyphenyl)propyl]urea (CID 86973255) is 1-[2-(2-fluorophenyl)-2-methylpropyl]-3-[3-(4-hydroxyphenyl)propyl]urea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-2-methylpropyl]-3-[3-(4-hydroxyphenyl)propyl]urea?
The canonical SMILES for 1-[2-(2-fluorophenyl)-2-methylpropyl]-3-[3-(4-hydroxyphenyl)propyl]urea is CC(C)(CNC(=O)NCCCc1ccc(O)cc1)c1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)-2-methylpropyl]-3-[3-(4-hydroxyphenyl)propyl]urea?
The InChIKey is PKVHWUVNHQYEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-20(2,17-7-3-4-8-18(17)21)14-23-19(25)22-13-5-6-15-9-11-16(24)12-10-15/h3-4,7-12,24H,5-6,13-14H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-[2-(2-fluorophenyl)-2-methylpropyl]-3-[3-(4-hydroxyphenyl)propyl]urea?
1-[2-(2-fluorophenyl)-2-methylpropyl]-3-[3-(4-hydroxyphenyl)propyl]urea has a molecular weight of 344.43 g/mol, XLogP of 3.74, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-2-methylpropyl]-3-[3-(4-hydroxyphenyl)propyl]urea is sourced from PubChem (CID 86973255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).