1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea

C17H19FN2O — CID 51290890

IUPAC1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NCCc2ccccc2F)cc1
InChIInChI=1S/C17H19FN2O/c1-13-6-8-14(9-7-13)12-20-17(21)19-11-10-15-4-2-3-5-16(15)18/h2-9H,10-12H2,1H3,(H2,19,20,21)
InChIKeyKAHXNAGKQWIAII-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.18
Rot. Bonds5

About 1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea

1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea (PubChem CID 51290890) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
PubChem CID51290890
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NCCc2ccccc2F)cc1
InChIInChI=1S/C17H19FN2O/c1-13-6-8-14(9-7-13)12-20-17(21)19-11-10-15-4-2-3-5-16(15)18/h2-9H,10-12H2,1H3,(H2,19,20,21)
InChIKeyKAHXNAGKQWIAII-UHFFFAOYSA-N
XLogP3.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
CID 108945715
1-[[4-(dimethylamino)phenyl]methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 38949164
1-[2-(2-fluorophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 55482057
1-[2-(2-fluorophenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea
CID 108900165
1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 47133695
1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 38383800
1-[(2-chlorophenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108891006
2-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997159
1-benzyl-3-[2-(2,4-difluorophenyl)ethyl]urea
CID 110775874
1-[[4-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108891247
1-[2-(4-ethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 3855520
1-[2-(2-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3255337

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea (CID 51290890) is 1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea is Cc1ccc(CNC(=O)NCCc2ccccc2F)cc1.
What is the InChIKey of 1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea?
The InChIKey is KAHXNAGKQWIAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-13-6-8-14(9-7-13)12-20-17(21)19-11-10-15-4-2-3-5-16(15)18/h2-9H,10-12H2,1H3,(H2,19,20,21).
What are the key properties of 1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea?
1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea has a molecular weight of 286.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 51290890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).