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

C13H17FN2O — CID 25051108

IUPAC1-(2-fluoroethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
SMILESCC1Cc2ccccc2C1NC(=O)NCCF
InChIInChI=1S/C13H17FN2O/c1-9-8-10-4-2-3-5-11(10)12(9)16-13(17)15-7-6-14/h2-5,9,12H,6-8H2,1H3,(H2,15,16,17)
InChIKeyWZDGUDPEFHQASP-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.19
Rot. Bonds3

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

1-(2-fluoroethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 25051108) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
PubChem CID25051108
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name1-(2-fluoroethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
SMILESCC1Cc2ccccc2C1NC(=O)NCCF
InChIInChI=1S/C13H17FN2O/c1-9-8-10-4-2-3-5-11(10)12(9)16-13(17)15-7-6-14/h2-5,9,12H,6-8H2,1H3,(H2,15,16,17)
InChIKeyWZDGUDPEFHQASP-UHFFFAOYSA-N
XLogP2.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-hydroxyethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111116927
1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111506246
1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111121271
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111115269
1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea
CID 96562833
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea
CID 24983548
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-phenylethyl)urea
CID 75266020
1-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
CID 97094926
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-methylbutyl)urea
CID 110894408
tert-butyl N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142301737
tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 163763965
1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110895027

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-(2-fluoroethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea (CID 25051108) is 1-(2-fluoroethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-(2-fluoroethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-(2-fluoroethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea is CC1Cc2ccccc2C1NC(=O)NCCF.
What is the InChIKey of 1-(2-fluoroethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is WZDGUDPEFHQASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9-8-10-4-2-3-5-11(10)12(9)16-13(17)15-7-6-14/h2-5,9,12H,6-8H2,1H3,(H2,15,16,17).
What are the key properties of 1-(2-fluoroethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea?
1-(2-fluoroethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 236.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 25051108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).