1-[2-(3-bromophenyl)ethyl]-3-[(4-ethoxyphenyl)methyl]urea

C18H21BrN2O2 — CID 108884611

IUPAC1-[2-(3-bromophenyl)ethyl]-3-[(4-ethoxyphenyl)methyl]urea
SMILESCCOc1ccc(CNC(=O)NCCc2cccc(Br)c2)cc1
InChIInChI=1S/C18H21BrN2O2/c1-2-23-17-8-6-15(7-9-17)13-21-18(22)20-11-10-14-4-3-5-16(19)12-14/h3-9,12H,2,10-11,13H2,1H3,(H2,20,21,22)
InChIKeyLFVDACPJCPFRHK-UHFFFAOYSA-N
MW377.28 g/mol
LogP3.89
Rot. Bonds7

About 1-[2-(3-bromophenyl)ethyl]-3-[(4-ethoxyphenyl)methyl]urea

1-[2-(3-bromophenyl)ethyl]-3-[(4-ethoxyphenyl)methyl]urea (PubChem CID 108884611) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 1-[2-(3-bromophenyl)ethyl]-3-[(4-ethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(3-bromophenyl)ethyl]-3-[(4-ethoxyphenyl)methyl]urea
PubChem CID108884611
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name1-[2-(3-bromophenyl)ethyl]-3-[(4-ethoxyphenyl)methyl]urea
SMILESCCOc1ccc(CNC(=O)NCCc2cccc(Br)c2)cc1
InChIInChI=1S/C18H21BrN2O2/c1-2-23-17-8-6-15(7-9-17)13-21-18(22)20-11-10-14-4-3-5-16(19)12-14/h3-9,12H,2,10-11,13H2,1H3,(H2,20,21,22)
InChIKeyLFVDACPJCPFRHK-UHFFFAOYSA-N
XLogP3.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromophenyl)methyl]-3-[(4-ethoxyphenyl)methyl]urea
CID 108884600
1-[2-(4-bromophenyl)ethyl]-3-[(4-ethoxyphenyl)methyl]urea
CID 108884614
1-benzyl-3-[2-(3-bromophenyl)ethyl]urea
CID 108871346
1-[(3-bromophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108898814
1-[2-(3-bromophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901593
1-[(4-ethoxyphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108884612
1-[2-(3-bromophenyl)ethyl]-3-(pyridin-4-ylmethyl)urea
CID 108901652
1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3856338
1-[(3-bromophenyl)methyl]-3-(2-phenylethyl)urea
CID 60601402
1-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea
CID 108884480
1-[(3-bromophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 108898959
1-[2-(3-bromophenyl)ethyl]-3-(3,4-diethoxyphenyl)urea
CID 108901661

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenyl)ethyl]-3-[(4-ethoxyphenyl)methyl]urea?
The IUPAC name of 1-[2-(3-bromophenyl)ethyl]-3-[(4-ethoxyphenyl)methyl]urea (CID 108884611) is 1-[2-(3-bromophenyl)ethyl]-3-[(4-ethoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(3-bromophenyl)ethyl]-3-[(4-ethoxyphenyl)methyl]urea?
The canonical SMILES for 1-[2-(3-bromophenyl)ethyl]-3-[(4-ethoxyphenyl)methyl]urea is CCOc1ccc(CNC(=O)NCCc2cccc(Br)c2)cc1.
What is the InChIKey of 1-[2-(3-bromophenyl)ethyl]-3-[(4-ethoxyphenyl)methyl]urea?
The InChIKey is LFVDACPJCPFRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-2-23-17-8-6-15(7-9-17)13-21-18(22)20-11-10-14-4-3-5-16(19)12-14/h3-9,12H,2,10-11,13H2,1H3,(H2,20,21,22).
What are the key properties of 1-[2-(3-bromophenyl)ethyl]-3-[(4-ethoxyphenyl)methyl]urea?
1-[2-(3-bromophenyl)ethyl]-3-[(4-ethoxyphenyl)methyl]urea has a molecular weight of 377.28 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenyl)ethyl]-3-[(4-ethoxyphenyl)methyl]urea is sourced from PubChem (CID 108884611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).