1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(3,4-difluorophenyl)-1-methylurea

C17H15ClF2N2O — CID 155227726

IUPAC1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(3,4-difluorophenyl)-1-methylurea
SMILESCN(C(=O)Nc1ccc(F)c(F)c1)C1CCc2cc(Cl)ccc21
InChIInChI=1S/C17H15ClF2N2O/c1-22(16-7-2-10-8-11(18)3-5-13(10)16)17(23)21-12-4-6-14(19)15(20)9-12/h3-6,8-9,16H,2,7H2,1H3,(H,21,23)
InChIKeyKFNMYSQMIDOIBM-UHFFFAOYSA-N
MW336.77 g/mol
LogP4.77
Rot. Bonds2

About 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(3,4-difluorophenyl)-1-methylurea

1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(3,4-difluorophenyl)-1-methylurea (PubChem CID 155227726) has the molecular formula C17H15ClF2N2O and a molecular weight of 336.77 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(3,4-difluorophenyl)-1-methylurea.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(3,4-difluorophenyl)-1-methylurea
PubChem CID155227726
Molecular FormulaC17H15ClF2N2O
Molecular Weight336.77 g/mol
Exact Mass336.08
IUPAC Name1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(3,4-difluorophenyl)-1-methylurea
SMILESCN(C(=O)Nc1ccc(F)c(F)c1)C1CCc2cc(Cl)ccc21
InChIInChI=1S/C17H15ClF2N2O/c1-22(16-7-2-10-8-11(18)3-5-13(10)16)17(23)21-12-4-6-14(19)15(20)9-12/h3-6,8-9,16H,2,7H2,1H3,(H,21,23)
InChIKeyKFNMYSQMIDOIBM-UHFFFAOYSA-N
XLogP4.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.77
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(3,4-difluorophenyl)-1-methylurea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(3,4-difluorophenyl)-1-methylurea?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(3,4-difluorophenyl)-1-methylurea (CID 155227726) is 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(3,4-difluorophenyl)-1-methylurea.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(3,4-difluorophenyl)-1-methylurea?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(3,4-difluorophenyl)-1-methylurea is CN(C(=O)Nc1ccc(F)c(F)c1)C1CCc2cc(Cl)ccc21.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(3,4-difluorophenyl)-1-methylurea?
The InChIKey is KFNMYSQMIDOIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N2O/c1-22(16-7-2-10-8-11(18)3-5-13(10)16)17(23)21-12-4-6-14(19)15(20)9-12/h3-6,8-9,16H,2,7H2,1H3,(H,21,23).
What are the key properties of 1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(3,4-difluorophenyl)-1-methylurea?
1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(3,4-difluorophenyl)-1-methylurea has a molecular weight of 336.77 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 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-(3,4-difluorophenyl)-1-methylurea is sourced from PubChem (CID 155227726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).