[3-(4-fluorophenyl)-1-methyl-2,3-dihydroinden-1-yl]urea

C17H17FN2O — CID 23201875

IUPAC[3-(4-fluorophenyl)-1-methyl-2,3-dihydroinden-1-yl]urea
SMILESCC1(NC(N)=O)CC(c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C17H17FN2O/c1-17(20-16(19)21)10-14(11-6-8-12(18)9-7-11)13-4-2-3-5-15(13)17/h2-9,14H,10H2,1H3,(H3,19,20,21)
InChIKeyKIARWPFYTDIONS-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.24
Rot. Bonds2

About [3-(4-fluorophenyl)-1-methyl-2,3-dihydroinden-1-yl]urea

[3-(4-fluorophenyl)-1-methyl-2,3-dihydroinden-1-yl]urea (PubChem CID 23201875) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1-methyl-2,3-dihydroinden-1-yl]urea.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1-methyl-2,3-dihydroinden-1-yl]urea
PubChem CID23201875
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name[3-(4-fluorophenyl)-1-methyl-2,3-dihydroinden-1-yl]urea
SMILESCC1(NC(N)=O)CC(c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C17H17FN2O/c1-17(20-16(19)21)10-14(11-6-8-12(18)9-7-11)13-4-2-3-5-15(13)17/h2-9,14H,10H2,1H3,(H3,19,20,21)
InChIKeyKIARWPFYTDIONS-UHFFFAOYSA-N
XLogP3.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [3-(4-fluorophenyl)-1-methyl-2,3-dihydroinden-1-yl]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-(4-fluorophenyl)-3,3-diphenyl-1,2-dihydroindene
CID 135029070
3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol
CID 3020939
3-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide
CID 90808912
(1S,3S)-3-(4-fluorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 59582051
1-(4-aminophenyl)-3-(4-methoxyphenyl)-2,3-dihydroindene-1-carboxylic acid
CID 174272459
(3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-phenylpiperidin-2-one
CID 162351718
(1R,2R)-2-(4-fluorophenyl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 71606779
methyl 6-fluoro-3-methyl-2,4-dihydro-1H-isoquinoline-3-carboxylate
CID 68549388
N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 75508914
(1R,3R)-1-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-indene
CID 129382987
trans-(1R,2S)-1-amino-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 13416169
6-[(3,3-dimethyl-1,2-dihydroinden-1-yl)amino]pyridazine-3-carboxamide
CID 133386609

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1-methyl-2,3-dihydroinden-1-yl]urea?
The IUPAC name of [3-(4-fluorophenyl)-1-methyl-2,3-dihydroinden-1-yl]urea (CID 23201875) is [3-(4-fluorophenyl)-1-methyl-2,3-dihydroinden-1-yl]urea.
What is the SMILES notation for [3-(4-fluorophenyl)-1-methyl-2,3-dihydroinden-1-yl]urea?
The canonical SMILES for [3-(4-fluorophenyl)-1-methyl-2,3-dihydroinden-1-yl]urea is CC1(NC(N)=O)CC(c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of [3-(4-fluorophenyl)-1-methyl-2,3-dihydroinden-1-yl]urea?
The InChIKey is KIARWPFYTDIONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-17(20-16(19)21)10-14(11-6-8-12(18)9-7-11)13-4-2-3-5-15(13)17/h2-9,14H,10H2,1H3,(H3,19,20,21).
What are the key properties of [3-(4-fluorophenyl)-1-methyl-2,3-dihydroinden-1-yl]urea?
[3-(4-fluorophenyl)-1-methyl-2,3-dihydroinden-1-yl]urea has a molecular weight of 284.33 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1-methyl-2,3-dihydroinden-1-yl]urea is sourced from PubChem (CID 23201875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).