1-[1-(4-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea

C18H20F2N2O — CID 51324617

IUPAC1-[1-(4-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
SMILESCC(c1ccc(F)cc1)N(C)C(=O)NCCc1ccccc1F
InChIInChI=1S/C18H20F2N2O/c1-13(14-7-9-16(19)10-8-14)22(2)18(23)21-12-11-15-5-3-4-6-17(15)20/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyWVUDBBSXZBGDTN-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.91
Rot. Bonds5

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

1-[1-(4-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea (PubChem CID 51324617) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
PubChem CID51324617
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name1-[1-(4-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
SMILESCC(c1ccc(F)cc1)N(C)C(=O)NCCc1ccccc1F
InChIInChI=1S/C18H20F2N2O/c1-13(14-7-9-16(19)10-8-14)22(2)18(23)21-12-11-15-5-3-4-6-17(15)20/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyWVUDBBSXZBGDTN-UHFFFAOYSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1S)-1-(4-fluorophenyl)ethyl]-1-methyl-3-[2-(4-propan-2-ylphenyl)ethyl]urea
CID 41096953
1-methyl-3-[2-(2-methylphenyl)ethyl]-1-(1-phenylethyl)urea
CID 18144066
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
CID 51934936
1-[1-(4-fluorophenyl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-1-methylurea
CID 134006438
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
CID 115603918
2-(4-fluorophenoxy)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 46654879
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9134156
N-[2-(2-fluorophenyl)ethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9134154
3-[ethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]butanoic acid
CID 62827671
3-(2-fluorophenyl)-N-[2-(4-fluorophenyl)propyl]propanamide
CID 110279623
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 51935182
3-butyl-1-methyl-1-(1-phenylethyl)urea
CID 102439407

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea?
The IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea (CID 51324617) is 1-[1-(4-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea.
What is the SMILES notation for 1-[1-(4-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea?
The canonical SMILES for 1-[1-(4-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea is CC(c1ccc(F)cc1)N(C)C(=O)NCCc1ccccc1F.
What is the InChIKey of 1-[1-(4-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea?
The InChIKey is WVUDBBSXZBGDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O/c1-13(14-7-9-16(19)10-8-14)22(2)18(23)21-12-11-15-5-3-4-6-17(15)20/h3-10,13H,11-12H2,1-2H3,(H,21,23).
What are the key properties of 1-[1-(4-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea?
1-[1-(4-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea has a molecular weight of 318.37 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea is sourced from PubChem (CID 51324617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).