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

C13H17FN2O — CID 25051429

IUPAC1-(2-fluoroethyl)-3-(7-methyl-2,3-dihydro-1H-inden-1-yl)urea
SMILESCc1cccc2c1C(NC(=O)NCCF)CC2
InChIInChI=1S/C13H17FN2O/c1-9-3-2-4-10-5-6-11(12(9)10)16-13(17)15-8-7-14/h2-4,11H,5-8H2,1H3,(H2,15,16,17)
InChIKeyJCTLVOFBVBMMBR-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.25
Rot. Bonds3

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

1-(2-fluoroethyl)-3-(7-methyl-2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 25051429) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-(7-methyl-2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-(7-methyl-2,3-dihydro-1H-inden-1-yl)urea
PubChem CID25051429
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name1-(2-fluoroethyl)-3-(7-methyl-2,3-dihydro-1H-inden-1-yl)urea
SMILESCc1cccc2c1C(NC(=O)NCCF)CC2
InChIInChI=1S/C13H17FN2O/c1-9-3-2-4-10-5-6-11(12(9)10)16-13(17)15-8-7-14/h2-4,11H,5-8H2,1H3,(H2,15,16,17)
InChIKeyJCTLVOFBVBMMBR-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Urea, 1-(2-chloroethyl)-3-(fluoren-9-yl)-
CID 293584
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-(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, 1-(2-dimethylaminoacetyl)-3-(1-indanyl)-
CID 110888
N-((2,6-Dimethylphenyl)methyl)urea
CID 205283
N-9H-fluoren-9-yl-1-piperidinecarboxamide
CID 1121624
N-(sec-butyl)-N'-(2-fluorobenzyl)urea
CID 2949724
N-[2-(4-fluorophenyl)ethyl]-N'-[1-(3-isopropenylphenyl)-1-methylethyl]urea
CID 713031

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-(7-methyl-2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-(2-fluoroethyl)-3-(7-methyl-2,3-dihydro-1H-inden-1-yl)urea (CID 25051429) is 1-(2-fluoroethyl)-3-(7-methyl-2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-(2-fluoroethyl)-3-(7-methyl-2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-(2-fluoroethyl)-3-(7-methyl-2,3-dihydro-1H-inden-1-yl)urea is Cc1cccc2c1C(NC(=O)NCCF)CC2.
What is the InChIKey of 1-(2-fluoroethyl)-3-(7-methyl-2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is JCTLVOFBVBMMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9-3-2-4-10-5-6-11(12(9)10)16-13(17)15-8-7-14/h2-4,11H,5-8H2,1H3,(H2,15,16,17).
What are the key properties of 1-(2-fluoroethyl)-3-(7-methyl-2,3-dihydro-1H-inden-1-yl)urea?
1-(2-fluoroethyl)-3-(7-methyl-2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 236.29 g/mol, XLogP of 2.25, 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-(7-methyl-2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 25051429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).