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

C12H13Cl2FN2O — CID 25051435

IUPAC1-(6,7-dichloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea
SMILESO=C(NCCF)NC1CCc2ccc(Cl)c(Cl)c21
InChIInChI=1S/C12H13Cl2FN2O/c13-8-3-1-7-2-4-9(10(7)11(8)14)17-12(18)16-6-5-15/h1,3,9H,2,4-6H2,(H2,16,17,18)
InChIKeyONTFIYFRXDHCJN-UHFFFAOYSA-N
MW291.15 g/mol
LogP3.25
Rot. Bonds3

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

1-(6,7-dichloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea (PubChem CID 25051435) has the molecular formula C12H13Cl2FN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is 1-(6,7-dichloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea.

Molecular Properties

Compound Name1-(6,7-dichloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea
PubChem CID25051435
Molecular FormulaC12H13Cl2FN2O
Molecular Weight291.15 g/mol
Exact Mass290.04
IUPAC Name1-(6,7-dichloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea
SMILESO=C(NCCF)NC1CCc2ccc(Cl)c(Cl)c21
InChIInChI=1S/C12H13Cl2FN2O/c13-8-3-1-7-2-4-9(10(7)11(8)14)17-12(18)16-6-5-15/h1,3,9H,2,4-6H2,(H2,16,17,18)
InChIKeyONTFIYFRXDHCJN-UHFFFAOYSA-N
XLogP3.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(6,7-dichloro-2,3-dihydro-1H-inden-1-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

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-(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 121526705
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-chloro-7-methyl-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea
CID 25051590
1-(4-chloro-2,3-dihydro-1H-inden-2-yl)-3-(2-fluoroethyl)urea
CID 25051756
1-(5-chloro-2,3-dihydro-1H-inden-2-yl)-3-(2-fluoroethyl)urea
CID 25051757
1-[(2,3-Dichlorophenyl)methyl]-3-(2-fluoroethyl)urea
CID 25119146
1-[1-(3,4-Dichlorophenyl)-2-phenylethyl]-3-(2-fluoroethyl)urea
CID 59012227

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dichloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea?
The IUPAC name of 1-(6,7-dichloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea (CID 25051435) is 1-(6,7-dichloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea.
What is the SMILES notation for 1-(6,7-dichloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea?
The canonical SMILES for 1-(6,7-dichloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea is O=C(NCCF)NC1CCc2ccc(Cl)c(Cl)c21.
What is the InChIKey of 1-(6,7-dichloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea?
The InChIKey is ONTFIYFRXDHCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2FN2O/c13-8-3-1-7-2-4-9(10(7)11(8)14)17-12(18)16-6-5-15/h1,3,9H,2,4-6H2,(H2,16,17,18).
What are the key properties of 1-(6,7-dichloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea?
1-(6,7-dichloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea has a molecular weight of 291.15 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dichloro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea is sourced from PubChem (CID 25051435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).