3-(2,3-dihydro-1H-inden-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-1-methylurea

C19H21FN2O — CID 78891504

IUPAC3-(2,3-dihydro-1H-inden-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
SMILESCN(Cc1cccc(F)c1)C(=O)NCc1ccc2c(c1)CCC2
InChIInChI=1S/C19H21FN2O/c1-22(13-15-4-2-7-18(20)11-15)19(23)21-12-14-8-9-16-5-3-6-17(16)10-14/h2,4,7-11H,3,5-6,12-13H2,1H3,(H,21,23)
InChIKeySUFOJYKJQCYHGC-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.66
Rot. Bonds4

About 3-(2,3-dihydro-1H-inden-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-1-methylurea

3-(2,3-dihydro-1H-inden-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-1-methylurea (PubChem CID 78891504) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
PubChem CID78891504
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
SMILESCN(Cc1cccc(F)c1)C(=O)NCc1ccc2c(c1)CCC2
InChIInChI=1S/C19H21FN2O/c1-22(13-15-4-2-7-18(20)11-15)19(23)21-12-14-8-9-16-5-3-6-17(16)10-14/h2,4,7-11H,3,5-6,12-13H2,1H3,(H,21,23)
InChIKeySUFOJYKJQCYHGC-UHFFFAOYSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-fluorophenyl)methyl]-1-methyl-3-[(2-methylphenyl)methyl]urea
CID 86916303
3-[(2-ethoxy-4-pyridinyl)methyl]-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 78889802
1-[(4-fluorophenyl)methyl]-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 51274161
2,3-dihydro-1H-inden-5-ylmethyl(methyl)carbamothioic S-acid
CID 115170087
3-[(3-fluorophenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 55007271
4-[(3-fluorophenyl)methylcarbamoyl-methylamino]butanoic acid
CID 43329847
3-[(3-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91914985
1-[(3-fluorophenyl)methyl]-1-methyl-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea
CID 87004078
1-[(3-fluorophenyl)methyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 86999693
3-[(3-fluorophenyl)methyl]-1-[(2-methoxy-3-pyridinyl)methyl]-1-methylurea
CID 53185039
3-[(3-fluorophenyl)methyl]-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea
CID 71686940
1-[(3-fluorophenyl)methyl]-1-methyl-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 78892840

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-1-methylurea?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-1-methylurea (CID 78891504) is 3-(2,3-dihydro-1H-inden-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-1-methylurea.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-1-methylurea?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-1-methylurea is CN(Cc1cccc(F)c1)C(=O)NCc1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-1-methylurea?
The InChIKey is SUFOJYKJQCYHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-22(13-15-4-2-7-18(20)11-15)19(23)21-12-14-8-9-16-5-3-6-17(16)10-14/h2,4,7-11H,3,5-6,12-13H2,1H3,(H,21,23).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-1-methylurea?
3-(2,3-dihydro-1H-inden-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-1-methylurea has a molecular weight of 312.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-1-methylurea is sourced from PubChem (CID 78891504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).