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

C14H19FN2O — CID 25051431

IUPAC1-(4-ethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea
SMILESCCc1cccc2c1CCC2NC(=O)NCCF
InChIInChI=1S/C14H19FN2O/c1-2-10-4-3-5-12-11(10)6-7-13(12)17-14(18)16-9-8-15/h3-5,13H,2,6-9H2,1H3,(H2,16,17,18)
InChIKeyFRUQWXRWSZAMDL-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.51
Rot. Bonds4

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

1-(4-ethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea (PubChem CID 25051431) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-(4-ethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea.

Molecular Properties

Compound Name1-(4-ethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea
PubChem CID25051431
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name1-(4-ethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea
SMILESCCc1cccc2c1CCC2NC(=O)NCCF
InChIInChI=1S/C14H19FN2O/c1-2-10-4-3-5-12-11(10)6-7-13(12)17-14(18)16-9-8-15/h3-5,13H,2,6-9H2,1H3,(H2,16,17,18)
InChIKeyFRUQWXRWSZAMDL-UHFFFAOYSA-N
XLogP2.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.51
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-(4-ethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea?
The IUPAC name of 1-(4-ethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea (CID 25051431) is 1-(4-ethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea.
What is the SMILES notation for 1-(4-ethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea?
The canonical SMILES for 1-(4-ethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea is CCc1cccc2c1CCC2NC(=O)NCCF.
What is the InChIKey of 1-(4-ethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea?
The InChIKey is FRUQWXRWSZAMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-2-10-4-3-5-12-11(10)6-7-13(12)17-14(18)16-9-8-15/h3-5,13H,2,6-9H2,1H3,(H2,16,17,18).
What are the key properties of 1-(4-ethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea?
1-(4-ethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea has a molecular weight of 250.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea is sourced from PubChem (CID 25051431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).