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

C16H16F2N2O — CID 108898570

IUPAC1-[2-(4-fluorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]urea
SMILESO=C(NCCc1ccc(F)cc1)NCc1cccc(F)c1
InChIInChI=1S/C16H16F2N2O/c17-14-6-4-12(5-7-14)8-9-19-16(21)20-11-13-2-1-3-15(18)10-13/h1-7,10H,8-9,11H2,(H2,19,20,21)
InChIKeyKJNWRSWOAPGOJV-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.01
Rot. Bonds5

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

1-[2-(4-fluorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]urea (PubChem CID 108898570) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]urea
PubChem CID108898570
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]urea
SMILESO=C(NCCc1ccc(F)cc1)NCc1cccc(F)c1
InChIInChI=1S/C16H16F2N2O/c17-14-6-4-12(5-7-14)8-9-19-16(21)20-11-13-2-1-3-15(18)10-13/h1-7,10H,8-9,11H2,(H2,19,20,21)
InChIKeyKJNWRSWOAPGOJV-UHFFFAOYSA-N
XLogP3.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
CID 47172429
1-[(3-bromophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 108898959
1-[(3-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108898465
1-[2-(3-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea
CID 108901185
1-[(4-bromophenyl)methyl]-3-[(3-fluorophenyl)methyl]urea
CID 108898606
1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 46555601
1-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108867745
2-(benzylcarbamoylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 34450279
2-[(3-fluorophenyl)methylcarbamoylamino]acetic acid
CID 16780933
1-[(3-fluorophenyl)methyl]-3-sulfanylurea
CID 141033956
1-[(3-bromophenyl)methyl]-3-(2-phenylethyl)urea
CID 60601402
1-benzyl-3-[2-(2,4-difluorophenyl)ethyl]urea
CID 110775874

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]urea?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]urea (CID 108898570) is 1-[2-(4-fluorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]urea is O=C(NCCc1ccc(F)cc1)NCc1cccc(F)c1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]urea?
The InChIKey is KJNWRSWOAPGOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c17-14-6-4-12(5-7-14)8-9-19-16(21)20-11-13-2-1-3-15(18)10-13/h1-7,10H,8-9,11H2,(H2,19,20,21).
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]urea?
1-[2-(4-fluorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]urea has a molecular weight of 290.31 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]urea is sourced from PubChem (CID 108898570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).