1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluorophenyl)-1-propylurea

C19H21FN2O — CID 52528168

IUPAC1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluorophenyl)-1-propylurea
SMILESCCCN(C(=O)Nc1ccccc1F)[C@@H]1CCc2ccccc21
InChIInChI=1S/C19H21FN2O/c1-2-13-22(18-12-11-14-7-3-4-8-15(14)18)19(23)21-17-10-6-5-9-16(17)20/h3-10,18H,2,11-13H2,1H3,(H,21,23)/t18-/m1/s1
InChIKeyAIGOYJCOOQREKJ-GOSISDBHSA-N
MW312.39 g/mol
LogP4.76
Rot. Bonds4

About 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluorophenyl)-1-propylurea

1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluorophenyl)-1-propylurea (PubChem CID 52528168) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluorophenyl)-1-propylurea.

Molecular Properties

Compound Name1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluorophenyl)-1-propylurea
PubChem CID52528168
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluorophenyl)-1-propylurea
SMILESCCCN(C(=O)Nc1ccccc1F)[C@@H]1CCc2ccccc21
InChIInChI=1S/C19H21FN2O/c1-2-13-22(18-12-11-14-7-3-4-8-15(14)18)19(23)21-17-10-6-5-9-16(17)20/h3-10,18H,2,11-13H2,1H3,(H,21,23)/t18-/m1/s1
InChIKeyAIGOYJCOOQREKJ-GOSISDBHSA-N
XLogP4.76
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 ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dihydro-1H-inden-1-yl)-3-(2-fluoro-4-methylphenyl)-1-propylurea
CID 51128665
1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(2-methylsulfanylphenyl)urea
CID 111790521
1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(2-methylphenyl)urea
CID 111790468
3-(3-chloro-2-methylphenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
CID 111790491
3-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
CID 111790504
1-(2-aminoethyl)-1-cyclobutyl-3-(2-fluorophenyl)urea
CID 102874295
1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-phenylurea
CID 111347470
1-(2,3-dihydro-1H-inden-1-yl)-1-(3-hydroxypropyl)-3-(4-methylphenyl)urea
CID 111347466
1-(2,3-dihydro-1H-inden-1-yl)-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-propylurea
CID 47085315
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-pyridin-4-ylurea
CID 95769864
3-(4-cyanophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
CID 111347453
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-pyridin-2-ylurea
CID 97083594

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluorophenyl)-1-propylurea?
The IUPAC name of 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluorophenyl)-1-propylurea (CID 52528168) is 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluorophenyl)-1-propylurea.
What is the SMILES notation for 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluorophenyl)-1-propylurea?
The canonical SMILES for 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluorophenyl)-1-propylurea is CCCN(C(=O)Nc1ccccc1F)[C@@H]1CCc2ccccc21.
What is the InChIKey of 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluorophenyl)-1-propylurea?
The InChIKey is AIGOYJCOOQREKJ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-2-13-22(18-12-11-14-7-3-4-8-15(14)18)19(23)21-17-10-6-5-9-16(17)20/h3-10,18H,2,11-13H2,1H3,(H,21,23)/t18-/m1/s1.
What are the key properties of 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluorophenyl)-1-propylurea?
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluorophenyl)-1-propylurea has a molecular weight of 312.39 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluorophenyl)-1-propylurea is sourced from PubChem (CID 52528168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).