1-benzyl-3-[3-(4-fluorophenyl)propyl]urea

C17H19FN2O — CID 118398519

IUPAC1-benzyl-3-[3-(4-fluorophenyl)propyl]urea
SMILESO=C(NCCCc1ccc(F)cc1)NCc1ccccc1
InChIInChI=1S/C17H19FN2O/c18-16-10-8-14(9-11-16)7-4-12-19-17(21)20-13-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-13H2,(H2,19,20,21)
InChIKeyIWVJFWNNOYHBHE-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.26
Rot. Bonds6

About 1-benzyl-3-[3-(4-fluorophenyl)propyl]urea

1-benzyl-3-[3-(4-fluorophenyl)propyl]urea (PubChem CID 118398519) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-benzyl-3-[3-(4-fluorophenyl)propyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[3-(4-fluorophenyl)propyl]urea
PubChem CID118398519
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name1-benzyl-3-[3-(4-fluorophenyl)propyl]urea
SMILESO=C(NCCCc1ccc(F)cc1)NCc1ccccc1
InChIInChI=1S/C17H19FN2O/c18-16-10-8-14(9-11-16)7-4-12-19-17(21)20-13-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-13H2,(H2,19,20,21)
InChIKeyIWVJFWNNOYHBHE-UHFFFAOYSA-N
XLogP3.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.26
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

Urea, N,N'-bis(phenylmethyl)-
CID 72889
Urea, N,N''-1,6-hexanediylbis[N'-(phenylmethyl)-
CID 2818389
N-Cyclohexyl-N'-(Propyl)Phenyl Urea
CID 4358
Benzylurea
CID 10853
Phenethylurea
CID 75089
N,N'-Bis(2-phenylethyl)urea
CID 95244
N-benzylpiperazine-1-carboxamide hydrochloride
CID 17400262
1-Benzyl-3-cyclohexylurea
CID 544877
4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
(2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(piperidin-4-yl)-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11675645
(2S)-4-(2,5-difluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11840968
1-Cyclohexyl-3-(2-phenylethyl)urea
CID 742677

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[3-(4-fluorophenyl)propyl]urea?
The IUPAC name of 1-benzyl-3-[3-(4-fluorophenyl)propyl]urea (CID 118398519) is 1-benzyl-3-[3-(4-fluorophenyl)propyl]urea.
What is the SMILES notation for 1-benzyl-3-[3-(4-fluorophenyl)propyl]urea?
The canonical SMILES for 1-benzyl-3-[3-(4-fluorophenyl)propyl]urea is O=C(NCCCc1ccc(F)cc1)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-[3-(4-fluorophenyl)propyl]urea?
The InChIKey is IWVJFWNNOYHBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c18-16-10-8-14(9-11-16)7-4-12-19-17(21)20-13-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-13H2,(H2,19,20,21).
What are the key properties of 1-benzyl-3-[3-(4-fluorophenyl)propyl]urea?
1-benzyl-3-[3-(4-fluorophenyl)propyl]urea has a molecular weight of 286.35 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[3-(4-fluorophenyl)propyl]urea is sourced from PubChem (CID 118398519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).