1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)urea

C16H16N2O3 — CID 25352937

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C16H16N2O3/c1-20-14-5-2-12(3-6-14)17-16(19)18-13-4-7-15-11(10-13)8-9-21-15/h2-7,10H,8-9H2,1H3,(H2,17,18,19)
InChIKeyDUMPJVYIDWRAEB-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.27
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)urea

1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)urea (PubChem CID 25352937) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)urea
PubChem CID25352937
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C16H16N2O3/c1-20-14-5-2-12(3-6-14)17-16(19)18-13-4-7-15-11(10-13)8-9-21-15/h2-7,10H,8-9H2,1H3,(H2,17,18,19)
InChIKeyDUMPJVYIDWRAEB-UHFFFAOYSA-N
XLogP3.27
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3,4-dimethoxyphenyl)urea
CID 110866492
[4-(2,3-dihydro-1-benzofuran-5-ylcarbamoylamino)phenyl] sulfamate
CID 70694605
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea
CID 110866610
N-(3,4-dihydro-2H-chromen-6-yl)-4-methoxybenzamide
CID 110726170
(E)-N-(2,3-dihydro-1-benzofuran-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 30839842
1-(3-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea
CID 110866595
1,3-bis(4-methoxyphenyl)urea
CID 139045428
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9222934
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)urea
CID 71040220
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-fluorophenyl)urea
CID 110866388
N-(2,3-dihydro-1-benzofuran-5-yl)-4-ethoxybenzamide
CID 38558658
N-[1-(4-methoxyphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732686

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)urea (CID 25352937) is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2ccc3c(c2)CCO3)cc1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)urea?
The InChIKey is DUMPJVYIDWRAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-20-14-5-2-12(3-6-14)17-16(19)18-13-4-7-15-11(10-13)8-9-21-15/h2-7,10H,8-9H2,1H3,(H2,17,18,19).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)urea?
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)urea has a molecular weight of 284.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 25352937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).