1-(6,7-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea

C14H19FN2O — CID 25051589

IUPAC1-(6,7-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea
SMILESCc1ccc2c(c1C)C(NC(=O)NCCF)CC2
InChIInChI=1S/C14H19FN2O/c1-9-3-4-11-5-6-12(13(11)10(9)2)17-14(18)16-8-7-15/h3-4,12H,5-8H2,1-2H3,(H2,16,17,18)
InChIKeyOQZCKOJARKVVLU-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.56
Rot. Bonds3

About 1-(6,7-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea

1-(6,7-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea (PubChem CID 25051589) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-(6,7-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea.

Molecular Properties

Compound Name1-(6,7-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea
PubChem CID25051589
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name1-(6,7-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea
SMILESCc1ccc2c(c1C)C(NC(=O)NCCF)CC2
InChIInChI=1S/C14H19FN2O/c1-9-3-4-11-5-6-12(13(11)10(9)2)17-14(18)16-8-7-15/h3-4,12H,5-8H2,1-2H3,(H2,16,17,18)
InChIKeyOQZCKOJARKVVLU-UHFFFAOYSA-N
XLogP2.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.56
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
Urea, 1-(2-chloroethyl)-3-(1-indanyl)-
CID 293506
1-(2,5-Dimethylbenzyl)imidazolidin-2-one
CID 3245633
1-(9H-fluoren-9-yl)-3-[(2-fluorophenyl)methyl]urea
CID 127041686
N-(1,2,3,5,6,7-Hexahydro-s-indacen-1-yl)acetamide
CID 53268
Urea, (2,5-dimethylbenzyl)-
CID 212820
Urea, (3,4-dimethylbenzyl)-
CID 212821
1,1-Diethyl-3-[(2,4,6-trimethylphenyl)methyl]urea
CID 2326346
N-cyclopentyl-N'-[1-(3-isopropenylphenyl)-1-methylethyl]urea
CID 753414
spiro[tetrahydro-1H-imidazole-4,1''-(2'',3''-dihydro-1''H-indene)]-2-one
CID 13953793

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea?
The IUPAC name of 1-(6,7-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea (CID 25051589) is 1-(6,7-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea.
What is the SMILES notation for 1-(6,7-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea?
The canonical SMILES for 1-(6,7-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea is Cc1ccc2c(c1C)C(NC(=O)NCCF)CC2.
What is the InChIKey of 1-(6,7-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea?
The InChIKey is OQZCKOJARKVVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9-3-4-11-5-6-12(13(11)10(9)2)17-14(18)16-8-7-15/h3-4,12H,5-8H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-(6,7-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea?
1-(6,7-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea has a molecular weight of 250.32 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea is sourced from PubChem (CID 25051589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).