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

C12H14ClFN2O — CID 25051269

IUPAC1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea
SMILESO=C(NCCF)NC1CCc2cc(Cl)ccc21
InChIInChI=1S/C12H14ClFN2O/c13-9-2-3-10-8(7-9)1-4-11(10)16-12(17)15-6-5-14/h2-3,7,11H,1,4-6H2,(H2,15,16,17)
InChIKeyMEFJIQXYQHNUOG-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.60
Rot. Bonds3

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

1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea (PubChem CID 25051269) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea
PubChem CID25051269
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC Name1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea
SMILESO=C(NCCF)NC1CCc2cc(Cl)ccc21
InChIInChI=1S/C12H14ClFN2O/c13-9-2-3-10-8(7-9)1-4-11(10)16-12(17)15-6-5-14/h2-3,7,11H,1,4-6H2,(H2,15,16,17)
InChIKeyMEFJIQXYQHNUOG-UHFFFAOYSA-N
XLogP2.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Urea, 1-(2-chloroethyl)-3-(1-indanyl)-
CID 293506
5-Chloro-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 53438981
1-[(4-Chlorophenyl)methyl]-3-cyclopentylurea
CID 40096405
1-[1-(3-Chlorophenyl)ethyl]-3-cyclopentylurea
CID 42924600
1-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)piperidine-1,4-dicarboxamide
CID 53511578
6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 54776023
N-(4-chlorobenzyl)-N'-[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]urea
CID 4117470
4-[[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]carbamoylamino]butanamide
CID 94658631
4-[[(1S)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]amino]piperidine-1-carboxamide
CID 97073615
N-(3-chloro-2-fluorobenzyl)-N'-cyclobutylurea
CID 122566738
1-[(4-Chloro-2-fluorophenyl)methyl]-3-propan-2-ylurea
CID 23548635
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea
CID 24983548

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea (CID 25051269) is 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea is O=C(NCCF)NC1CCc2cc(Cl)ccc21.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea?
The InChIKey is MEFJIQXYQHNUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O/c13-9-2-3-10-8(7-9)1-4-11(10)16-12(17)15-6-5-14/h2-3,7,11H,1,4-6H2,(H2,15,16,17).
What are the key properties of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea?
1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea has a molecular weight of 256.71 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea is sourced from PubChem (CID 25051269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).