1-[(4-fluorophenyl)methyl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea

C18H19FN2O2 — CID 90499226

IUPAC1-[(4-fluorophenyl)methyl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
SMILESO=C(NCc1ccc(F)cc1)NCC1(O)CCc2ccccc21
InChIInChI=1S/C18H19FN2O2/c19-15-7-5-13(6-8-15)11-20-17(22)21-12-18(23)10-9-14-3-1-2-4-16(14)18/h1-8,23H,9-12H2,(H2,20,21,22)
InChIKeyPFAACBDNLWXUSI-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.46
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea

1-[(4-fluorophenyl)methyl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea (PubChem CID 90499226) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
PubChem CID90499226
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
SMILESO=C(NCc1ccc(F)cc1)NCC1(O)CCc2ccccc21
InChIInChI=1S/C18H19FN2O2/c19-15-7-5-13(6-8-15)11-20-17(22)21-12-18(23)10-9-14-3-1-2-4-16(14)18/h1-8,23H,9-12H2,(H2,20,21,22)
InChIKeyPFAACBDNLWXUSI-UHFFFAOYSA-N
XLogP2.46
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-Diisopropyl-phenyl)-3-(1-hydroxy-indan-1-ylmethyl)-urea
CID 14555243
1-[2-(3-Fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea
CID 47081484
1-Benzyl-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea
CID 51094198
1-[2-(3-Fluorophenyl)-2-hydroxyethyl]-3-[(3-fluorophenyl)methyl]urea
CID 53557729
1-Benzyl-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea
CID 56764253
1-(3-Phenylpropyl)-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea
CID 56764259
1-(2-([1,1'-Biphenyl]-4-yl)-2-hydroxypropyl)-3-(4-fluorobenzyl)urea
CID 71781866
N1-(4-fluorobenzyl)-N2-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)oxalamide
CID 71782200
1-(2-Cyclopropyl-2-hydroxy-2-phenylethyl)-3-(4-fluorobenzyl)urea
CID 71788852
N-{[(S)-1-hydroxy-1-indanyl]methyl}o-fluorobenzamide
CID 95983064
1-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 71782220
1-Benzhydryl-3-(2-hydroxy-2-phenylpropyl)urea
CID 56765417

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea (CID 90499226) is 1-[(4-fluorophenyl)methyl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea is O=C(NCc1ccc(F)cc1)NCC1(O)CCc2ccccc21.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea?
The InChIKey is PFAACBDNLWXUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-15-7-5-13(6-8-15)11-20-17(22)21-12-18(23)10-9-14-3-1-2-4-16(14)18/h1-8,23H,9-12H2,(H2,20,21,22).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea?
1-[(4-fluorophenyl)methyl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea has a molecular weight of 314.36 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea is sourced from PubChem (CID 90499226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).