3-(9H-fluoren-9-yl)-1,1-dimethylurea

C16H16N2O — CID 950587

IUPAC3-(9H-fluoren-9-yl)-1,1-dimethylurea
SMILESCN(C)C(=O)NC1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H16N2O/c1-18(2)16(19)17-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10,15H,1-2H3,(H,17,19)
InChIKeyTYAUOGRXDRZGRE-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.03
Rot. Bonds1

About 3-(9H-fluoren-9-yl)-1,1-dimethylurea

3-(9H-fluoren-9-yl)-1,1-dimethylurea (PubChem CID 950587) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-(9H-fluoren-9-yl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(9H-fluoren-9-yl)-1,1-dimethylurea
PubChem CID950587
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name3-(9H-fluoren-9-yl)-1,1-dimethylurea
SMILESCN(C)C(=O)NC1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H16N2O/c1-18(2)16(19)17-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10,15H,1-2H3,(H,17,19)
InChIKeyTYAUOGRXDRZGRE-UHFFFAOYSA-N
XLogP3.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Irindalone
CID 65845
Urea, 1-(2-chloroethyl)-3-(fluoren-9-yl)-
CID 293584
N-[(2-methylphenyl)(phenyl)methyl]urea
CID 2849790
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
N-methyl-3-phenyl-indan-1-amine;hydrochloride
CID 45260274
(2S)-2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide
CID 52641321
1-[(1S)-1-phenylethyl]-3-(3-phenylpropyl)urea
CID 94519439
1-[(1S)-1-phenylpropyl]-3-(3-phenylpropyl)urea
CID 127044926
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
Urea, 1-(2-chloroethyl)-3-(1-indanyl)-
CID 293506

Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-9-yl)-1,1-dimethylurea?
The IUPAC name of 3-(9H-fluoren-9-yl)-1,1-dimethylurea (CID 950587) is 3-(9H-fluoren-9-yl)-1,1-dimethylurea.
What is the SMILES notation for 3-(9H-fluoren-9-yl)-1,1-dimethylurea?
The canonical SMILES for 3-(9H-fluoren-9-yl)-1,1-dimethylurea is CN(C)C(=O)NC1c2ccccc2-c2ccccc21.
What is the InChIKey of 3-(9H-fluoren-9-yl)-1,1-dimethylurea?
The InChIKey is TYAUOGRXDRZGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-18(2)16(19)17-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10,15H,1-2H3,(H,17,19).
What are the key properties of 3-(9H-fluoren-9-yl)-1,1-dimethylurea?
3-(9H-fluoren-9-yl)-1,1-dimethylurea has a molecular weight of 252.32 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-9-yl)-1,1-dimethylurea is sourced from PubChem (CID 950587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).