1-(9H-fluoren-9-yl)-3-[(2-fluorophenyl)methyl]urea

C21H17FN2O — CID 127041686

IUPAC1-(9H-fluoren-9-yl)-3-[(2-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccccc1F)NC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H17FN2O/c22-19-12-6-1-7-14(19)13-23-21(25)24-20-17-10-4-2-8-15(17)16-9-3-5-11-18(16)20/h1-12,20H,13H2,(H2,23,24,25)
InChIKeyXDZCLVYPYYSDAR-UHFFFAOYSA-N
MW332.38 g/mol
LogP4.39
Rot. Bonds3

About 1-(9H-fluoren-9-yl)-3-[(2-fluorophenyl)methyl]urea

1-(9H-fluoren-9-yl)-3-[(2-fluorophenyl)methyl]urea (PubChem CID 127041686) has the molecular formula C21H17FN2O and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-(9H-fluoren-9-yl)-3-[(2-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-(9H-fluoren-9-yl)-3-[(2-fluorophenyl)methyl]urea
PubChem CID127041686
Molecular FormulaC21H17FN2O
Molecular Weight332.38 g/mol
Exact Mass332.13
IUPAC Name1-(9H-fluoren-9-yl)-3-[(2-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccccc1F)NC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H17FN2O/c22-19-12-6-1-7-14(19)13-23-21(25)24-20-17-10-4-2-8-15(17)16-9-3-5-11-18(16)20/h1-12,20H,13H2,(H2,23,24,25)
InChIKeyXDZCLVYPYYSDAR-UHFFFAOYSA-N
XLogP4.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(9H-fluoren-9-yl)-3-[(2-fluorophenyl)methyl]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

Irindalone
CID 65845
Urea, 1-(2-chloroethyl)-3-(fluoren-9-yl)-
CID 293584
3-(9H-fluoren-9-yl)-1,1-dimethylurea
CID 950587
1-(2-{4-[3-(4-Fluoro-phenyl)-indan-1-yl]-piperazin-1-yl}-ethyl)-imidazolidin-2-one
CID 10319293
1-(2-{4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-piperazin-1-yl}-ethyl)-imidazolidin-2-one
CID 14208342
1-(2-Fluorobenzoyl)-3-(9H-fluoren-9-yl)-urea
CID 44248913
1-(2,6-Difluorobenzoyl)-3-(9H-fluoren-9-yl)-urea
CID 44249040
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(3-phenylpropyl)urea
CID 127044930
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-phenylpropyl)urea
CID 127044931
N-(9H-fluoren-9-yl)morpholine-4-carboxamide
CID 806424
1-[2-[4-[(1S,3R)-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one;hydrate
CID 52949082
1-(3,3-diphenylpropyl)-3-[(1R)-1-phenylethyl]urea
CID 67404227

Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-9-yl)-3-[(2-fluorophenyl)methyl]urea?
The IUPAC name of 1-(9H-fluoren-9-yl)-3-[(2-fluorophenyl)methyl]urea (CID 127041686) is 1-(9H-fluoren-9-yl)-3-[(2-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-(9H-fluoren-9-yl)-3-[(2-fluorophenyl)methyl]urea?
The canonical SMILES for 1-(9H-fluoren-9-yl)-3-[(2-fluorophenyl)methyl]urea is O=C(NCc1ccccc1F)NC1c2ccccc2-c2ccccc21.
What is the InChIKey of 1-(9H-fluoren-9-yl)-3-[(2-fluorophenyl)methyl]urea?
The InChIKey is XDZCLVYPYYSDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O/c22-19-12-6-1-7-14(19)13-23-21(25)24-20-17-10-4-2-8-15(17)16-9-3-5-11-18(16)20/h1-12,20H,13H2,(H2,23,24,25).
What are the key properties of 1-(9H-fluoren-9-yl)-3-[(2-fluorophenyl)methyl]urea?
1-(9H-fluoren-9-yl)-3-[(2-fluorophenyl)methyl]urea has a molecular weight of 332.38 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-9-yl)-3-[(2-fluorophenyl)methyl]urea is sourced from PubChem (CID 127041686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).