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

C18H21BrN2O2 — CID 108901690

IUPAC1-benzyl-3-[2-(3-bromophenyl)ethyl]-1-(2-hydroxyethyl)urea
SMILESO=C(NCCc1cccc(Br)c1)N(CCO)Cc1ccccc1
InChIInChI=1S/C18H21BrN2O2/c19-17-8-4-7-15(13-17)9-10-20-18(23)21(11-12-22)14-16-5-2-1-3-6-16/h1-8,13,22H,9-12,14H2,(H,20,23)
InChIKeyBAQSVBPEHOZICN-UHFFFAOYSA-N
MW377.28 g/mol
LogP3.20
Rot. Bonds7

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

1-benzyl-3-[2-(3-bromophenyl)ethyl]-1-(2-hydroxyethyl)urea (PubChem CID 108901690) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 1-benzyl-3-[2-(3-bromophenyl)ethyl]-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-[2-(3-bromophenyl)ethyl]-1-(2-hydroxyethyl)urea
PubChem CID108901690
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name1-benzyl-3-[2-(3-bromophenyl)ethyl]-1-(2-hydroxyethyl)urea
SMILESO=C(NCCc1cccc(Br)c1)N(CCO)Cc1ccccc1
InChIInChI=1S/C18H21BrN2O2/c19-17-8-4-7-15(13-17)9-10-20-18(23)21(11-12-22)14-16-5-2-1-3-6-16/h1-8,13,22H,9-12,14H2,(H,20,23)
InChIKeyBAQSVBPEHOZICN-UHFFFAOYSA-N
XLogP3.20
TPSA52.57 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 ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-benzyl-N'-(2-hydroxyethyl)-N-(2-phenylethyl)oxamide
CID 108505831
3-[2-(3-bromophenyl)ethyl]-1-ethyl-1-phenylurea
CID 108901655
N-[2-(3-bromophenyl)ethyl]benzamide
CID 90847047
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
1-benzyl-3-[2-(3-bromophenyl)ethyl]urea
CID 108871346
N-benzyl-2,4-dibromo-N-(2-hydroxyethyl)benzamide
CID 103882425
1-benzyl-3-(cyanomethyl)-1-(2-hydroxyethyl)urea
CID 108864764
1,1,3-tris(2-phenylethyl)urea
CID 123287811
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
1,1-dibenzyl-3-[2-(4-fluorophenyl)ethyl]urea
CID 108902120
1,1-dibenzyl-3-[2-(4-methylphenyl)ethyl]urea
CID 108891110
1-[(3-bromophenyl)methyl]-3-(2-phenylethyl)urea
CID 60601402

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(3-bromophenyl)ethyl]-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-benzyl-3-[2-(3-bromophenyl)ethyl]-1-(2-hydroxyethyl)urea (CID 108901690) is 1-benzyl-3-[2-(3-bromophenyl)ethyl]-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-benzyl-3-[2-(3-bromophenyl)ethyl]-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-benzyl-3-[2-(3-bromophenyl)ethyl]-1-(2-hydroxyethyl)urea is O=C(NCCc1cccc(Br)c1)N(CCO)Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-[2-(3-bromophenyl)ethyl]-1-(2-hydroxyethyl)urea?
The InChIKey is BAQSVBPEHOZICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c19-17-8-4-7-15(13-17)9-10-20-18(23)21(11-12-22)14-16-5-2-1-3-6-16/h1-8,13,22H,9-12,14H2,(H,20,23).
What are the key properties of 1-benzyl-3-[2-(3-bromophenyl)ethyl]-1-(2-hydroxyethyl)urea?
1-benzyl-3-[2-(3-bromophenyl)ethyl]-1-(2-hydroxyethyl)urea has a molecular weight of 377.28 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(3-bromophenyl)ethyl]-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 108901690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).