3-[2-(3-bromophenyl)ethyl]-1-ethyl-1-phenylurea

C17H19BrN2O — CID 108901655

IUPAC3-[2-(3-bromophenyl)ethyl]-1-ethyl-1-phenylurea
SMILESCCN(C(=O)NCCc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C17H19BrN2O/c1-2-20(16-9-4-3-5-10-16)17(21)19-12-11-14-7-6-8-15(18)13-14/h3-10,13H,2,11-12H2,1H3,(H,19,21)
InChIKeyXKQQWLRIKFPRCH-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.23
Rot. Bonds5

About 3-[2-(3-bromophenyl)ethyl]-1-ethyl-1-phenylurea

3-[2-(3-bromophenyl)ethyl]-1-ethyl-1-phenylurea (PubChem CID 108901655) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 3-[2-(3-bromophenyl)ethyl]-1-ethyl-1-phenylurea.

Molecular Properties

Compound Name3-[2-(3-bromophenyl)ethyl]-1-ethyl-1-phenylurea
PubChem CID108901655
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name3-[2-(3-bromophenyl)ethyl]-1-ethyl-1-phenylurea
SMILESCCN(C(=O)NCCc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C17H19BrN2O/c1-2-20(16-9-4-3-5-10-16)17(21)19-12-11-14-7-6-8-15(18)13-14/h3-10,13H,2,11-12H2,1H3,(H,19,21)
InChIKeyXKQQWLRIKFPRCH-UHFFFAOYSA-N
XLogP4.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(3-chlorophenyl)ethyl]-1-ethyl-1-phenylurea
CID 108901403
1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-1-phenylurea
CID 108900948
2-(3-bromophenyl)-N-ethyl-N-phenylacetamide
CID 113098483
1-ethyl-1-phenyl-3-(3-phenylpropyl)urea
CID 108990490
1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-1-phenylurea
CID 108901911
1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-phenylurea
CID 108902393
N-[2-(3-bromophenyl)ethyl]benzamide
CID 90847047
1-benzyl-3-[2-(3-bromophenyl)ethyl]-1-(2-hydroxyethyl)urea
CID 108901690
3-(2-chloroethyl)-1-ethyl-1-phenylurea
CID 71675641
1-benzyl-3-[2-(3-bromophenyl)ethyl]urea
CID 108871346
3-[2-(2-bromophenoxy)ethyl]-1-ethyl-1-phenylurea
CID 112971088
3-[(3-bromophenyl)methyl]-1-ethyl-1-methylurea
CID 78917448

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-bromophenyl)ethyl]-1-ethyl-1-phenylurea?
The IUPAC name of 3-[2-(3-bromophenyl)ethyl]-1-ethyl-1-phenylurea (CID 108901655) is 3-[2-(3-bromophenyl)ethyl]-1-ethyl-1-phenylurea.
What is the SMILES notation for 3-[2-(3-bromophenyl)ethyl]-1-ethyl-1-phenylurea?
The canonical SMILES for 3-[2-(3-bromophenyl)ethyl]-1-ethyl-1-phenylurea is CCN(C(=O)NCCc1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 3-[2-(3-bromophenyl)ethyl]-1-ethyl-1-phenylurea?
The InChIKey is XKQQWLRIKFPRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-2-20(16-9-4-3-5-10-16)17(21)19-12-11-14-7-6-8-15(18)13-14/h3-10,13H,2,11-12H2,1H3,(H,19,21).
What are the key properties of 3-[2-(3-bromophenyl)ethyl]-1-ethyl-1-phenylurea?
3-[2-(3-bromophenyl)ethyl]-1-ethyl-1-phenylurea has a molecular weight of 347.26 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-bromophenyl)ethyl]-1-ethyl-1-phenylurea is sourced from PubChem (CID 108901655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).