1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea

C12H15FN2O — CID 24983548

IUPAC1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea
SMILESO=C(NCCF)N[C@H]1CCc2ccccc21
InChIInChI=1S/C12H15FN2O/c13-7-8-14-12(16)15-11-6-5-9-3-1-2-4-10(9)11/h1-4,11H,5-8H2,(H2,14,15,16)/t11-/m0/s1
InChIKeyOCOUYQILRYIRER-NSHDSACASA-N
MW222.26 g/mol
LogP1.94
Rot. Bonds3

About 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea

1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea (PubChem CID 24983548) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea.

Molecular Properties

Compound Name1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea
PubChem CID24983548
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea
SMILESO=C(NCCF)N[C@H]1CCc2ccccc21
InChIInChI=1S/C12H15FN2O/c13-7-8-14-12(16)15-11-6-5-9-3-1-2-4-10(9)11/h1-4,11H,5-8H2,(H2,14,15,16)/t11-/m0/s1
InChIKeyOCOUYQILRYIRER-NSHDSACASA-N
XLogP1.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromoethyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 59355774
1-(2-hydroxyethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 21393473
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-3-(2-fluoroethyl)urea
CID 25052272
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea
CID 94046810
1-(2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936507
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111337898
(2S)-2-amino-3-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propanoic acid
CID 70945803
1-(2-fluoroethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 25051108
1-(2,3-dihydro-1H-inden-1-yl)-3-(furan-2-ylmethyl)urea
CID 47127905
1-(2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-1-ylmethyl)urea
CID 57264395
1-cyclobutyl-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 113233184
methyl (2S)-2-amino-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoate
CID 157035640

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea?
The IUPAC name of 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea (CID 24983548) is 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea.
What is the SMILES notation for 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea?
The canonical SMILES for 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea is O=C(NCCF)N[C@H]1CCc2ccccc21.
What is the InChIKey of 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea?
The InChIKey is OCOUYQILRYIRER-NSHDSACASA-N. The full InChI is InChI=1S/C12H15FN2O/c13-7-8-14-12(16)15-11-6-5-9-3-1-2-4-10(9)11/h1-4,11H,5-8H2,(H2,14,15,16)/t11-/m0/s1.
What are the key properties of 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea?
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea has a molecular weight of 222.26 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea is sourced from PubChem (CID 24983548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).