1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea

C16H17FN2O — CID 47172429

IUPAC1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NCc1cccc(F)c1
InChIInChI=1S/C16H17FN2O/c17-15-8-4-7-14(11-15)12-19-16(20)18-10-9-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H2,18,19,20)
InChIKeyDSVHFOFELHFCTM-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.87
Rot. Bonds5

About 1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea

1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea (PubChem CID 47172429) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
PubChem CID47172429
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NCc1cccc(F)c1
InChIInChI=1S/C16H17FN2O/c17-15-8-4-7-14(11-15)12-19-16(20)18-10-9-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H2,18,19,20)
InChIKeyDSVHFOFELHFCTM-UHFFFAOYSA-N
XLogP2.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(4-fluorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]urea
CID 108898570
1-[(3-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108898465
2-(benzylcarbamoylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 34450279
1-[(3-bromophenyl)methyl]-3-(2-phenylethyl)urea
CID 60601402
2-[(3-fluorophenyl)methylcarbamoylamino]acetic acid
CID 16780933
1-[(3-bromophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 108898959
1-[2-(3-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea
CID 108901185
1-benzyl-3-[2-(2,4-difluorophenyl)ethyl]urea
CID 110775874
1-[(3-fluorophenyl)methyl]-3-sulfanylurea
CID 141033956
1-[2-(3-fluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111334518
1-[(4-bromophenyl)methyl]-3-[(3-fluorophenyl)methyl]urea
CID 108898606
1-[2-(3,5-difluorophenyl)ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924408

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea (CID 47172429) is 1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea is O=C(NCCc1ccccc1)NCc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea?
The InChIKey is DSVHFOFELHFCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c17-15-8-4-7-14(11-15)12-19-16(20)18-10-9-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H2,18,19,20).
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea?
1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea has a molecular weight of 272.32 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 47172429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).