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

C12H14ClFN2O — CID 25051757

IUPAC1-(5-chloro-2,3-dihydro-1H-inden-2-yl)-3-(2-fluoroethyl)urea
SMILESO=C(NCCF)NC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C12H14ClFN2O/c13-10-2-1-8-6-11(7-9(8)5-10)16-12(17)15-4-3-14/h1-2,5,11H,3-4,6-7H2,(H2,15,16,17)
InChIKeyMYECJRHJRVFEFR-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.08
Rot. Bonds3

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

1-(5-chloro-2,3-dihydro-1H-inden-2-yl)-3-(2-fluoroethyl)urea (PubChem CID 25051757) 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-2-yl)-3-(2-fluoroethyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1H-inden-2-yl)-3-(2-fluoroethyl)urea
PubChem CID25051757
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC Name1-(5-chloro-2,3-dihydro-1H-inden-2-yl)-3-(2-fluoroethyl)urea
SMILESO=C(NCCF)NC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C12H14ClFN2O/c13-10-2-1-8-6-11(7-9(8)5-10)16-12(17)15-4-3-14/h1-2,5,11H,3-4,6-7H2,(H2,15,16,17)
InChIKeyMYECJRHJRVFEFR-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-Chlorophenyl)ethyl]-3-cyclohexylurea
CID 4059236
Urea, 1-(2-chloroethyl)-3-(2-indanyl)-
CID 96888
1-[2-(4-Chlorophenyl)ethyl]-3-methylurea
CID 2805178
1-[2-(3-Chlorophenyl)ethyl]-3-cyclohexylurea
CID 840519
N-methyl-5-chloro-2-indanamine
CID 20347845
5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-amine
CID 22757700
1-(2,3-dihydro-1H-inden-2-yl)-3-(2-fluoroethyl)urea
CID 25051104
1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea
CID 25051269
1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea
CID 25051272
1-(6-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea
CID 25051428
1-(7-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea
CID 25051434
1-(6,7-dichloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea
CID 25051435

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1H-inden-2-yl)-3-(2-fluoroethyl)urea?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1H-inden-2-yl)-3-(2-fluoroethyl)urea (CID 25051757) is 1-(5-chloro-2,3-dihydro-1H-inden-2-yl)-3-(2-fluoroethyl)urea.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1H-inden-2-yl)-3-(2-fluoroethyl)urea?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1H-inden-2-yl)-3-(2-fluoroethyl)urea is O=C(NCCF)NC1Cc2ccc(Cl)cc2C1.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1H-inden-2-yl)-3-(2-fluoroethyl)urea?
The InChIKey is MYECJRHJRVFEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O/c13-10-2-1-8-6-11(7-9(8)5-10)16-12(17)15-4-3-14/h1-2,5,11H,3-4,6-7H2,(H2,15,16,17).
What are the key properties of 1-(5-chloro-2,3-dihydro-1H-inden-2-yl)-3-(2-fluoroethyl)urea?
1-(5-chloro-2,3-dihydro-1H-inden-2-yl)-3-(2-fluoroethyl)urea has a molecular weight of 256.71 g/mol, XLogP of 2.08, 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-2-yl)-3-(2-fluoroethyl)urea is sourced from PubChem (CID 25051757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).