3-[2-(2-bromophenyl)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea

C13H19BrN2O2 — CID 49132868

IUPAC3-[2-(2-bromophenyl)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)NCCc1ccccc1Br
InChIInChI=1S/C13H19BrN2O2/c1-2-16(9-10-17)13(18)15-8-7-11-5-3-4-6-12(11)14/h3-6,17H,2,7-10H2,1H3,(H,15,18)
InChIKeyHZDFNMLVAABSFO-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.02
Rot. Bonds6

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

3-[2-(2-bromophenyl)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea (PubChem CID 49132868) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 3-[2-(2-bromophenyl)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[2-(2-bromophenyl)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea
PubChem CID49132868
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name3-[2-(2-bromophenyl)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)NCCc1ccccc1Br
InChIInChI=1S/C13H19BrN2O2/c1-2-16(9-10-17)13(18)15-8-7-11-5-3-4-6-12(11)14/h3-6,17H,2,7-10H2,1H3,(H,15,18)
InChIKeyHZDFNMLVAABSFO-UHFFFAOYSA-N
XLogP2.02
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-bromophenyl)ethylcarbamoyl-ethylamino]-N-tert-butylacetamide
CID 48964163
1-ethyl-3-[(2-ethylphenyl)methyl]-1-(2-hydroxyethyl)urea
CID 111455825
1-ethyl-1-(2-hydroxyethyl)-3-[(2-methylphenyl)methyl]urea
CID 108897193
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CID 104547574
2-[(2-bromophenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)butanamide
CID 109468194
1-[2-(2-bromophenyl)ethyl]-3-butylurea
CID 108888202
1-[2-(2-bromophenyl)ethyl]-3-[(E)-but-1-enyl]urea
CID 108910838
1-[2-[2-bromo-5-(trifluoromethyl)phenyl]ethyl]-1-ethyl-3-(2-phenylethyl)urea
CID 175268906
1-[2-(2-bromophenyl)ethyl]-3-[(E)-2-methylbut-1-enyl]urea
CID 108914513
1-[2-(2-bromophenyl)ethyl]-3-[4-(diethylamino)phenyl]urea
CID 108900589
1-ethyl-1-(2-hydroxyethyl)-3-[(2-phenoxyphenyl)methyl]urea
CID 110909282
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-bromophenyl)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-[2-(2-bromophenyl)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea (CID 49132868) is 3-[2-(2-bromophenyl)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[2-(2-bromophenyl)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-[2-(2-bromophenyl)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea is CCN(CCO)C(=O)NCCc1ccccc1Br.
What is the InChIKey of 3-[2-(2-bromophenyl)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The InChIKey is HZDFNMLVAABSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-2-16(9-10-17)13(18)15-8-7-11-5-3-4-6-12(11)14/h3-6,17H,2,7-10H2,1H3,(H,15,18).
What are the key properties of 3-[2-(2-bromophenyl)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea?
3-[2-(2-bromophenyl)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea has a molecular weight of 315.21 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-bromophenyl)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 49132868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).