1-(2-bromophenyl)-3-[2-(N-ethyl-3-fluoroanilino)ethyl]urea

C17H19BrFN3O — CID 24768239

IUPAC1-(2-bromophenyl)-3-[2-(N-ethyl-3-fluoroanilino)ethyl]urea
SMILESCCN(CCNC(=O)Nc1ccccc1Br)c1cccc(F)c1
InChIInChI=1S/C17H19BrFN3O/c1-2-22(14-7-5-6-13(19)12-14)11-10-20-17(23)21-16-9-4-3-8-15(16)18/h3-9,12H,2,10-11H2,1H3,(H2,20,21,23)
InChIKeyPXADWBWJWPCPCZ-UHFFFAOYSA-N
MW380.26 g/mol
LogP4.24
Rot. Bonds6

About 1-(2-bromophenyl)-3-[2-(N-ethyl-3-fluoroanilino)ethyl]urea

1-(2-bromophenyl)-3-[2-(N-ethyl-3-fluoroanilino)ethyl]urea (PubChem CID 24768239) has the molecular formula C17H19BrFN3O and a molecular weight of 380.26 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-[2-(N-ethyl-3-fluoroanilino)ethyl]urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-[2-(N-ethyl-3-fluoroanilino)ethyl]urea
PubChem CID24768239
Molecular FormulaC17H19BrFN3O
Molecular Weight380.26 g/mol
Exact Mass379.07
IUPAC Name1-(2-bromophenyl)-3-[2-(N-ethyl-3-fluoroanilino)ethyl]urea
SMILESCCN(CCNC(=O)Nc1ccccc1Br)c1cccc(F)c1
InChIInChI=1S/C17H19BrFN3O/c1-2-22(14-7-5-6-13(19)12-14)11-10-20-17(23)21-16-9-4-3-8-15(16)18/h3-9,12H,2,10-11H2,1H3,(H2,20,21,23)
InChIKeyPXADWBWJWPCPCZ-UHFFFAOYSA-N
XLogP4.24
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-[2-(N-ethyl-3-fluoroanilino)ethyl]urea?
The IUPAC name of 1-(2-bromophenyl)-3-[2-(N-ethyl-3-fluoroanilino)ethyl]urea (CID 24768239) is 1-(2-bromophenyl)-3-[2-(N-ethyl-3-fluoroanilino)ethyl]urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-[2-(N-ethyl-3-fluoroanilino)ethyl]urea?
The canonical SMILES for 1-(2-bromophenyl)-3-[2-(N-ethyl-3-fluoroanilino)ethyl]urea is CCN(CCNC(=O)Nc1ccccc1Br)c1cccc(F)c1.
What is the InChIKey of 1-(2-bromophenyl)-3-[2-(N-ethyl-3-fluoroanilino)ethyl]urea?
The InChIKey is PXADWBWJWPCPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN3O/c1-2-22(14-7-5-6-13(19)12-14)11-10-20-17(23)21-16-9-4-3-8-15(16)18/h3-9,12H,2,10-11H2,1H3,(H2,20,21,23).
What are the key properties of 1-(2-bromophenyl)-3-[2-(N-ethyl-3-fluoroanilino)ethyl]urea?
1-(2-bromophenyl)-3-[2-(N-ethyl-3-fluoroanilino)ethyl]urea has a molecular weight of 380.26 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-[2-(N-ethyl-3-fluoroanilino)ethyl]urea is sourced from PubChem (CID 24768239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).