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

C15H13F3N2O — CID 46647390

IUPAC1-(2,4-difluorophenyl)-3-[2-(3-fluorophenyl)ethyl]urea
SMILESO=C(NCCc1cccc(F)c1)Nc1ccc(F)cc1F
InChIInChI=1S/C15H13F3N2O/c16-11-3-1-2-10(8-11)6-7-19-15(21)20-14-5-4-12(17)9-13(14)18/h1-5,8-9H,6-7H2,(H2,19,20,21)
InChIKeyIVUOSJNVHWAKBD-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.47
Rot. Bonds4

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

1-(2,4-difluorophenyl)-3-[2-(3-fluorophenyl)ethyl]urea (PubChem CID 46647390) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[2-(3-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[2-(3-fluorophenyl)ethyl]urea
PubChem CID46647390
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name1-(2,4-difluorophenyl)-3-[2-(3-fluorophenyl)ethyl]urea
SMILESO=C(NCCc1cccc(F)c1)Nc1ccc(F)cc1F
InChIInChI=1S/C15H13F3N2O/c16-11-3-1-2-10(8-11)6-7-19-15(21)20-14-5-4-12(17)9-13(14)18/h1-5,8-9H,6-7H2,(H2,19,20,21)
InChIKeyIVUOSJNVHWAKBD-UHFFFAOYSA-N
XLogP3.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-3-(4-phenylbutyl)urea
CID 24818673
1-[2-(3-fluorophenyl)ethyl]-3-(5-hydroxynaphthalen-1-yl)urea
CID 108901146
1-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 883790
1-(2,4-difluorophenyl)-3-[2-(4-phenylmethoxyphenyl)ethyl]urea
CID 141080201
1-[2-(3-bromophenyl)ethyl]-3-(2,5-difluorophenyl)urea
CID 108901812
N-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide
CID 51290594
1-(2,4-difluorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63311976
1-(2,4-difluorophenyl)-3-[3-(2-phenylethoxy)propyl]urea
CID 47050815
4-[2-(3-fluorophenyl)ethylcarbamoylamino]benzoic acid
CID 108901120
1-[(3-aminophenyl)methyl]-3-(2,4-difluorophenyl)urea
CID 62498968
2-(3-fluorophenyl)ethylcarbamothioic S-acid
CID 115170336
1-(2-cyanoethyl)-3-(2,4-difluorophenyl)urea
CID 60676650

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[2-(3-fluorophenyl)ethyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[2-(3-fluorophenyl)ethyl]urea (CID 46647390) is 1-(2,4-difluorophenyl)-3-[2-(3-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[2-(3-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[2-(3-fluorophenyl)ethyl]urea is O=C(NCCc1cccc(F)c1)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[2-(3-fluorophenyl)ethyl]urea?
The InChIKey is IVUOSJNVHWAKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c16-11-3-1-2-10(8-11)6-7-19-15(21)20-14-5-4-12(17)9-13(14)18/h1-5,8-9H,6-7H2,(H2,19,20,21).
What are the key properties of 1-(2,4-difluorophenyl)-3-[2-(3-fluorophenyl)ethyl]urea?
1-(2,4-difluorophenyl)-3-[2-(3-fluorophenyl)ethyl]urea has a molecular weight of 294.28 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[2-(3-fluorophenyl)ethyl]urea is sourced from PubChem (CID 46647390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).