1-[2-(2,6-difluorophenyl)ethyl]-3-(2-phenylethyl)urea

C17H18F2N2O — CID 60541307

IUPAC1-[2-(2,6-difluorophenyl)ethyl]-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NCCc1c(F)cccc1F
InChIInChI=1S/C17H18F2N2O/c18-15-7-4-8-16(19)14(15)10-12-21-17(22)20-11-9-13-5-2-1-3-6-13/h1-8H,9-12H2,(H2,20,21,22)
InChIKeyZGAMSMFJVXYEPG-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.05
Rot. Bonds6

About 1-[2-(2,6-difluorophenyl)ethyl]-3-(2-phenylethyl)urea

1-[2-(2,6-difluorophenyl)ethyl]-3-(2-phenylethyl)urea (PubChem CID 60541307) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is 1-[2-(2,6-difluorophenyl)ethyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[2-(2,6-difluorophenyl)ethyl]-3-(2-phenylethyl)urea
PubChem CID60541307
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC Name1-[2-(2,6-difluorophenyl)ethyl]-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NCCc1c(F)cccc1F
InChIInChI=1S/C17H18F2N2O/c18-15-7-4-8-16(19)14(15)10-12-21-17(22)20-11-9-13-5-2-1-3-6-13/h1-8H,9-12H2,(H2,20,21,22)
InChIKeyZGAMSMFJVXYEPG-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 47329826
1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
CID 47172429
1-[2-(2,6-difluorophenyl)ethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
CID 47066717
dibenzyl 5-[2-(2,6-difluorophenyl)ethylcarbamoylamino]benzene-1,3-dicarboxylate
CID 70280897
N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide
CID 108947912
4-N-(2,6-difluorophenyl)-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide
CID 109047887
2,4,5,6-tetrafluoro-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide
CID 1109048
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526
1-(3-fluoro-4-hydroxyphenyl)-3-(2-phenylethyl)urea
CID 69008943
1-[(3-bromophenyl)methyl]-3-(2-phenylethyl)urea
CID 60601402
2-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)benzamide
CID 174954311

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-difluorophenyl)ethyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[2-(2,6-difluorophenyl)ethyl]-3-(2-phenylethyl)urea (CID 60541307) is 1-[2-(2,6-difluorophenyl)ethyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[2-(2,6-difluorophenyl)ethyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[2-(2,6-difluorophenyl)ethyl]-3-(2-phenylethyl)urea is O=C(NCCc1ccccc1)NCCc1c(F)cccc1F.
What is the InChIKey of 1-[2-(2,6-difluorophenyl)ethyl]-3-(2-phenylethyl)urea?
The InChIKey is ZGAMSMFJVXYEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O/c18-15-7-4-8-16(19)14(15)10-12-21-17(22)20-11-9-13-5-2-1-3-6-13/h1-8H,9-12H2,(H2,20,21,22).
What are the key properties of 1-[2-(2,6-difluorophenyl)ethyl]-3-(2-phenylethyl)urea?
1-[2-(2,6-difluorophenyl)ethyl]-3-(2-phenylethyl)urea has a molecular weight of 304.34 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-difluorophenyl)ethyl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 60541307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).