1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea

C17H17FN2O2 — CID 30886416

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)Nc2ccc3c(c2)CCO3)cc1F
InChIInChI=1S/C17H17FN2O2/c1-11-2-3-12(8-15(11)18)10-19-17(21)20-14-4-5-16-13(9-14)6-7-22-16/h2-5,8-9H,6-7,10H2,1H3,(H2,19,20,21)
InChIKeyMCBKEAVUSABQOC-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.39
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea

1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea (PubChem CID 30886416) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea
PubChem CID30886416
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)Nc2ccc3c(c2)CCO3)cc1F
InChIInChI=1S/C17H17FN2O2/c1-11-2-3-12(8-15(11)18)10-19-17(21)20-14-4-5-16-13(9-14)6-7-22-16/h2-5,8-9H,6-7,10H2,1H3,(H2,19,20,21)
InChIKeyMCBKEAVUSABQOC-UHFFFAOYSA-N
XLogP3.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9126806
1-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-(3,4-dimethylphenyl)urea
CID 100694624
N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732631
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-fluorophenyl)urea
CID 110866388
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea
CID 110866610
1-(1,3-benzodioxol-5-yl)-3-[[4-(dimethylamino)-3-fluorophenyl]methyl]urea
CID 86870507
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936095
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxopropanamide
CID 115175685
1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-4-methylphenyl)urea
CID 51168538
2-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 43701447
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-difluorobenzamide
CID 110787075
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 38949085

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea (CID 30886416) is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea is Cc1ccc(CNC(=O)Nc2ccc3c(c2)CCO3)cc1F.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea?
The InChIKey is MCBKEAVUSABQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-11-2-3-12(8-15(11)18)10-19-17(21)20-14-4-5-16-13(9-14)6-7-22-16/h2-5,8-9H,6-7,10H2,1H3,(H2,19,20,21).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea?
1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea has a molecular weight of 300.33 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(3-fluoro-4-methylphenyl)methyl]urea is sourced from PubChem (CID 30886416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).