1-(2-fluoroethyl)-3-(4-methyl-2,3-dihydro-1H-inden-2-yl)urea

C13H17FN2O — CID 25051593

IUPAC1-(2-fluoroethyl)-3-(4-methyl-2,3-dihydro-1H-inden-2-yl)urea
SMILESCc1cccc2c1CC(NC(=O)NCCF)C2
InChIInChI=1S/C13H17FN2O/c1-9-3-2-4-10-7-11(8-12(9)10)16-13(17)15-6-5-14/h2-4,11H,5-8H2,1H3,(H2,15,16,17)
InChIKeyVGJRXYBELAHOFH-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.73
Rot. Bonds3

About 1-(2-fluoroethyl)-3-(4-methyl-2,3-dihydro-1H-inden-2-yl)urea

1-(2-fluoroethyl)-3-(4-methyl-2,3-dihydro-1H-inden-2-yl)urea (PubChem CID 25051593) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-(4-methyl-2,3-dihydro-1H-inden-2-yl)urea.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-(4-methyl-2,3-dihydro-1H-inden-2-yl)urea
PubChem CID25051593
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name1-(2-fluoroethyl)-3-(4-methyl-2,3-dihydro-1H-inden-2-yl)urea
SMILESCc1cccc2c1CC(NC(=O)NCCF)C2
InChIInChI=1S/C13H17FN2O/c1-9-3-2-4-10-7-11(8-12(9)10)16-13(17)15-6-5-14/h2-4,11H,5-8H2,1H3,(H2,15,16,17)
InChIKeyVGJRXYBELAHOFH-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

3-(9H-fluoren-9-yl)-1,1-dimethylurea
CID 950587
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
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
N-[(N''-Indan-2-yl-N''-propyl)-4-aminobutyl]methylcarboxamide
CID 52937773
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
N-cyclopentyl-N'-[1-(3-isopropenylphenyl)-1-methylethyl]urea
CID 753414

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-(4-methyl-2,3-dihydro-1H-inden-2-yl)urea?
The IUPAC name of 1-(2-fluoroethyl)-3-(4-methyl-2,3-dihydro-1H-inden-2-yl)urea (CID 25051593) is 1-(2-fluoroethyl)-3-(4-methyl-2,3-dihydro-1H-inden-2-yl)urea.
What is the SMILES notation for 1-(2-fluoroethyl)-3-(4-methyl-2,3-dihydro-1H-inden-2-yl)urea?
The canonical SMILES for 1-(2-fluoroethyl)-3-(4-methyl-2,3-dihydro-1H-inden-2-yl)urea is Cc1cccc2c1CC(NC(=O)NCCF)C2.
What is the InChIKey of 1-(2-fluoroethyl)-3-(4-methyl-2,3-dihydro-1H-inden-2-yl)urea?
The InChIKey is VGJRXYBELAHOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9-3-2-4-10-7-11(8-12(9)10)16-13(17)15-6-5-14/h2-4,11H,5-8H2,1H3,(H2,15,16,17).
What are the key properties of 1-(2-fluoroethyl)-3-(4-methyl-2,3-dihydro-1H-inden-2-yl)urea?
1-(2-fluoroethyl)-3-(4-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-(4-methyl-2,3-dihydro-1H-inden-2-yl)urea is sourced from PubChem (CID 25051593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).