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

C12H15FN2O — CID 25051104

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-3-(2-fluoroethyl)urea
SMILESO=C(NCCF)NC1Cc2ccccc2C1
InChIInChI=1S/C12H15FN2O/c13-5-6-14-12(16)15-11-7-9-3-1-2-4-10(9)8-11/h1-4,11H,5-8H2,(H2,14,15,16)
InChIKeyPJJCILICAGDNIW-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.42
Rot. Bonds3

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

1-(2,3-dihydro-1H-inden-2-yl)-3-(2-fluoroethyl)urea (PubChem CID 25051104) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-3-(2-fluoroethyl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-3-(2-fluoroethyl)urea
PubChem CID25051104
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-3-(2-fluoroethyl)urea
SMILESO=C(NCCF)NC1Cc2ccccc2C1
InChIInChI=1S/C12H15FN2O/c13-5-6-14-12(16)15-11-7-9-3-1-2-4-10(9)8-11/h1-4,11H,5-8H2,(H2,14,15,16)
InChIKeyPJJCILICAGDNIW-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-Methylindan-2-amine
CID 15023225
1-Cyclohexyl-3-(2-phenylethyl)urea
CID 742677
1-Butan-2-yl-3-(3-phenylpropyl)urea
CID 45366530
1-[(2S)-butan-2-yl]-3-(3-phenylpropyl)urea
CID 93534208
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(3-phenylpropyl)urea
CID 127044930
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-phenylpropyl)urea
CID 127044931
Urea, (alpha-methylphenethyl)-
CID 95627
Urea, 1-(2-chloroethyl)-3-(1-indanyl)-
CID 293506
(S)-N-(2,3-dihydro-1H-inden-2-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 44418550
4-cyclopentyl-N-(2,3-dihydro-1H-inden-2-yl)piperazine-1-carboxamide
CID 44418558
N-(2,3-dihydro-1H-inden-2-yl)-4-isopropylpiperazine-1-carboxamide
CID 44418559
N-(2,3-dihydro-1H-inden-2-yl)-4-ethylpiperazine-1-carboxamide
CID 44418565

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-(2-fluoroethyl)urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-(2-fluoroethyl)urea (CID 25051104) is 1-(2,3-dihydro-1H-inden-2-yl)-3-(2-fluoroethyl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-3-(2-fluoroethyl)urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-3-(2-fluoroethyl)urea is O=C(NCCF)NC1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-3-(2-fluoroethyl)urea?
The InChIKey is PJJCILICAGDNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c13-5-6-14-12(16)15-11-7-9-3-1-2-4-10(9)8-11/h1-4,11H,5-8H2,(H2,14,15,16).
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-3-(2-fluoroethyl)urea?
1-(2,3-dihydro-1H-inden-2-yl)-3-(2-fluoroethyl)urea has a molecular weight of 222.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-3-(2-fluoroethyl)urea is sourced from PubChem (CID 25051104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).