1-[(3-bromophenyl)methyl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]urea

C18H19BrN2O2 — CID 86952368

IUPAC1-[(3-bromophenyl)methyl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]urea
SMILESO=C(NCCc1ccc2c(c1)CCO2)NCc1cccc(Br)c1
InChIInChI=1S/C18H19BrN2O2/c19-16-3-1-2-14(11-16)12-21-18(22)20-8-6-13-4-5-17-15(10-13)7-9-23-17/h1-5,10-11H,6-9,12H2,(H2,20,21,22)
InChIKeyDRMVTLIBCFKVJO-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.43
Rot. Bonds5

About 1-[(3-bromophenyl)methyl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]urea

1-[(3-bromophenyl)methyl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]urea (PubChem CID 86952368) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]urea
PubChem CID86952368
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name1-[(3-bromophenyl)methyl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]urea
SMILESO=C(NCCc1ccc2c(c1)CCO2)NCc1cccc(Br)c1
InChIInChI=1S/C18H19BrN2O2/c19-16-3-1-2-14(11-16)12-21-18(22)20-8-6-13-4-5-17-15(10-13)7-9-23-17/h1-5,10-11H,6-9,12H2,(H2,20,21,22)
InChIKeyDRMVTLIBCFKVJO-UHFFFAOYSA-N
XLogP3.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-[2-(3-bromophenyl)ethyl]urea
CID 108871346
1-[(3-bromophenyl)methyl]-3-(2-phenylethyl)urea
CID 60601402
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618884
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 111335774
1-[(3-bromophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 108898959
3-[[[N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111563298
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 86952310
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 110792403
4-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110787047
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-phenylbutan-2-yl)urea
CID 86952245
1-(3-bromophenyl)-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol
CID 65447392
1-[2-(3-bromophenyl)ethyl]-3-(pyridin-4-ylmethyl)urea
CID 108901652

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]urea?
The IUPAC name of 1-[(3-bromophenyl)methyl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]urea (CID 86952368) is 1-[(3-bromophenyl)methyl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]urea.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]urea?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]urea is O=C(NCCc1ccc2c(c1)CCO2)NCc1cccc(Br)c1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]urea?
The InChIKey is DRMVTLIBCFKVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c19-16-3-1-2-14(11-16)12-21-18(22)20-8-6-13-4-5-17-15(10-13)7-9-23-17/h1-5,10-11H,6-9,12H2,(H2,20,21,22).
What are the key properties of 1-[(3-bromophenyl)methyl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]urea?
1-[(3-bromophenyl)methyl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]urea has a molecular weight of 375.27 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]urea is sourced from PubChem (CID 86952368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).