1-[2-(3-bromophenyl)ethyl]-3-(2,5-difluorophenyl)urea

C15H13BrF2N2O — CID 108901812

IUPAC1-[2-(3-bromophenyl)ethyl]-3-(2,5-difluorophenyl)urea
SMILESO=C(NCCc1cccc(Br)c1)Nc1cc(F)ccc1F
InChIInChI=1S/C15H13BrF2N2O/c16-11-3-1-2-10(8-11)6-7-19-15(21)20-14-9-12(17)4-5-13(14)18/h1-5,8-9H,6-7H2,(H2,19,20,21)
InChIKeyNZBCKJACGHITOC-UHFFFAOYSA-N
MW355.18 g/mol
LogP4.09
Rot. Bonds4

About 1-[2-(3-bromophenyl)ethyl]-3-(2,5-difluorophenyl)urea

1-[2-(3-bromophenyl)ethyl]-3-(2,5-difluorophenyl)urea (PubChem CID 108901812) has the molecular formula C15H13BrF2N2O and a molecular weight of 355.18 g/mol. Its IUPAC name is 1-[2-(3-bromophenyl)ethyl]-3-(2,5-difluorophenyl)urea.

Molecular Properties

Compound Name1-[2-(3-bromophenyl)ethyl]-3-(2,5-difluorophenyl)urea
PubChem CID108901812
Molecular FormulaC15H13BrF2N2O
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC Name1-[2-(3-bromophenyl)ethyl]-3-(2,5-difluorophenyl)urea
SMILESO=C(NCCc1cccc(Br)c1)Nc1cc(F)ccc1F
InChIInChI=1S/C15H13BrF2N2O/c16-11-3-1-2-10(8-11)6-7-19-15(21)20-14-9-12(17)4-5-13(14)18/h1-5,8-9H,6-7H2,(H2,19,20,21)
InChIKeyNZBCKJACGHITOC-UHFFFAOYSA-N
XLogP4.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(3-bromophenyl)ethyl]-3-(2,5-dichlorophenyl)urea
CID 108886240
1-(2,4-difluorophenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 46647390
1-(3-bromophenyl)-3-(2,5-difluorophenyl)urea
CID 3468982
1-[(3-bromophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 108898959
1-[2-(3-bromophenyl)ethyl]-3-pyrimidin-2-ylurea
CID 108901668
3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 127122417
1-(4-aminophenyl)-3-[2-(3-bromophenyl)ethyl]urea
CID 108897082
1-(2,5-difluorophenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891763
1-benzyl-3-(5-bromo-2-fluorophenyl)urea
CID 103658658
3-[2-(3-bromophenyl)ethylcarbamoylamino]benzoic acid
CID 108901553
1-benzyl-3-[2-(3-bromophenyl)ethyl]urea
CID 108871346
1-[2-(3-bromophenyl)ethyl]-3-pentan-3-ylurea
CID 108888425

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenyl)ethyl]-3-(2,5-difluorophenyl)urea?
The IUPAC name of 1-[2-(3-bromophenyl)ethyl]-3-(2,5-difluorophenyl)urea (CID 108901812) is 1-[2-(3-bromophenyl)ethyl]-3-(2,5-difluorophenyl)urea.
What is the SMILES notation for 1-[2-(3-bromophenyl)ethyl]-3-(2,5-difluorophenyl)urea?
The canonical SMILES for 1-[2-(3-bromophenyl)ethyl]-3-(2,5-difluorophenyl)urea is O=C(NCCc1cccc(Br)c1)Nc1cc(F)ccc1F.
What is the InChIKey of 1-[2-(3-bromophenyl)ethyl]-3-(2,5-difluorophenyl)urea?
The InChIKey is NZBCKJACGHITOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N2O/c16-11-3-1-2-10(8-11)6-7-19-15(21)20-14-9-12(17)4-5-13(14)18/h1-5,8-9H,6-7H2,(H2,19,20,21).
What are the key properties of 1-[2-(3-bromophenyl)ethyl]-3-(2,5-difluorophenyl)urea?
1-[2-(3-bromophenyl)ethyl]-3-(2,5-difluorophenyl)urea has a molecular weight of 355.18 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenyl)ethyl]-3-(2,5-difluorophenyl)urea is sourced from PubChem (CID 108901812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).