1-[1-(4-bromophenyl)ethyl]-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea

C18H19BrN2O2 — CID 55629466

IUPAC1-[1-(4-bromophenyl)ethyl]-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea
SMILESCC(NC(=O)NCC1Cc2ccccc2O1)c1ccc(Br)cc1
InChIInChI=1S/C18H19BrN2O2/c1-12(13-6-8-15(19)9-7-13)21-18(22)20-11-16-10-14-4-2-3-5-17(14)23-16/h2-9,12,16H,10-11H2,1H3,(H2,20,21,22)
InChIKeyYXDMWMCHBZICOZ-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.81
Rot. Bonds4

About 1-[1-(4-bromophenyl)ethyl]-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea

1-[1-(4-bromophenyl)ethyl]-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea (PubChem CID 55629466) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)ethyl]-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)ethyl]-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea
PubChem CID55629466
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name1-[1-(4-bromophenyl)ethyl]-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea
SMILESCC(NC(=O)NCC1Cc2ccccc2O1)c1ccc(Br)cc1
InChIInChI=1S/C18H19BrN2O2/c1-12(13-6-8-15(19)9-7-13)21-18(22)20-11-16-10-14-4-2-3-5-17(14)23-16/h2-9,12,16H,10-11H2,1H3,(H2,20,21,22)
InChIKeyYXDMWMCHBZICOZ-UHFFFAOYSA-N
XLogP3.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948627
1-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 124840427
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 107980334
(2R)-2-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoylamino)-4-hydroxybutanoic acid
CID 107827468
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide
CID 79192348
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanamide
CID 79012981
(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-phenylethanamine
CID 79036025
3-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylbenzamide
CID 104852428
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,2-diphenylacetamide
CID 71897392
5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)furan-2-carboxamide
CID 46400999
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-diphenylpropanamide
CID 55613114

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)ethyl]-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea?
The IUPAC name of 1-[1-(4-bromophenyl)ethyl]-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea (CID 55629466) is 1-[1-(4-bromophenyl)ethyl]-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea.
What is the SMILES notation for 1-[1-(4-bromophenyl)ethyl]-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea?
The canonical SMILES for 1-[1-(4-bromophenyl)ethyl]-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea is CC(NC(=O)NCC1Cc2ccccc2O1)c1ccc(Br)cc1.
What is the InChIKey of 1-[1-(4-bromophenyl)ethyl]-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea?
The InChIKey is YXDMWMCHBZICOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-12(13-6-8-15(19)9-7-13)21-18(22)20-11-16-10-14-4-2-3-5-17(14)23-16/h2-9,12,16H,10-11H2,1H3,(H2,20,21,22).
What are the key properties of 1-[1-(4-bromophenyl)ethyl]-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea?
1-[1-(4-bromophenyl)ethyl]-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea has a molecular weight of 375.27 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)ethyl]-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea is sourced from PubChem (CID 55629466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).