1-(2-fluoroethyl)-3-(5-methyl-2,3-dihydro-1H-inden-2-yl)urea

C13H17FN2O — CID 25051595

IUPAC1-(2-fluoroethyl)-3-(5-methyl-2,3-dihydro-1H-inden-2-yl)urea
SMILESCc1ccc2c(c1)CC(NC(=O)NCCF)C2
InChIInChI=1S/C13H17FN2O/c1-9-2-3-10-7-12(8-11(10)6-9)16-13(17)15-5-4-14/h2-3,6,12H,4-5,7-8H2,1H3,(H2,15,16,17)
InChIKeyZXHOTPURJGKCHW-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.73
Rot. Bonds3

About 1-(2-fluoroethyl)-3-(5-methyl-2,3-dihydro-1H-inden-2-yl)urea

1-(2-fluoroethyl)-3-(5-methyl-2,3-dihydro-1H-inden-2-yl)urea (PubChem CID 25051595) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-(5-methyl-2,3-dihydro-1H-inden-2-yl)urea.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-(5-methyl-2,3-dihydro-1H-inden-2-yl)urea
PubChem CID25051595
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name1-(2-fluoroethyl)-3-(5-methyl-2,3-dihydro-1H-inden-2-yl)urea
SMILESCc1ccc2c(c1)CC(NC(=O)NCCF)C2
InChIInChI=1S/C13H17FN2O/c1-9-2-3-10-7-12(8-11(10)6-9)16-13(17)15-5-4-14/h2-3,6,12H,4-5,7-8H2,1H3,(H2,15,16,17)
InChIKeyZXHOTPURJGKCHW-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-Tert-butyl-3-[2-(4-methylphenyl)ethyl]urea
CID 727879
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
Urea, 1-(2,4-dimethylphenethyl)-
CID 87035
Urea, 1-(3,4-dimethylphenethyl)-
CID 89026
Urea, 1-(2-chloroethyl)-3-(2-indanyl)-
CID 96888
Urea, 1-(alpha-methyl-m-trifluoromethylphenethyl)-
CID 98051
1-(2,3-dihydro-1H-inden-2-yl)-3-(3-phenylpropyl)urea
CID 137649121
US20240010639, Example 9
CID 171034309
Urea, 1-(2,6-dimethylphenethyl)-
CID 87032
Urea, 1-(2,3-dimethylphenethyl)-
CID 87034
Urea, 1-(2,5-dimethylphenethyl)-
CID 87036

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-(5-methyl-2,3-dihydro-1H-inden-2-yl)urea?
The IUPAC name of 1-(2-fluoroethyl)-3-(5-methyl-2,3-dihydro-1H-inden-2-yl)urea (CID 25051595) is 1-(2-fluoroethyl)-3-(5-methyl-2,3-dihydro-1H-inden-2-yl)urea.
What is the SMILES notation for 1-(2-fluoroethyl)-3-(5-methyl-2,3-dihydro-1H-inden-2-yl)urea?
The canonical SMILES for 1-(2-fluoroethyl)-3-(5-methyl-2,3-dihydro-1H-inden-2-yl)urea is Cc1ccc2c(c1)CC(NC(=O)NCCF)C2.
What is the InChIKey of 1-(2-fluoroethyl)-3-(5-methyl-2,3-dihydro-1H-inden-2-yl)urea?
The InChIKey is ZXHOTPURJGKCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9-2-3-10-7-12(8-11(10)6-9)16-13(17)15-5-4-14/h2-3,6,12H,4-5,7-8H2,1H3,(H2,15,16,17).
What are the key properties of 1-(2-fluoroethyl)-3-(5-methyl-2,3-dihydro-1H-inden-2-yl)urea?
1-(2-fluoroethyl)-3-(5-methyl-2,3-dihydro-1H-inden-2-yl)urea has a molecular weight of 236.29 g/mol, XLogP of 1.73, 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-(5-methyl-2,3-dihydro-1H-inden-2-yl)urea is sourced from PubChem (CID 25051595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).