1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea

C15H15FN2O — CID 6995379

IUPAC1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea
SMILESC[C@H](NC(=O)Nc1ccccc1F)c1ccccc1
InChIInChI=1S/C15H15FN2O/c1-11(12-7-3-2-4-8-12)17-15(19)18-14-10-6-5-9-13(14)16/h2-11H,1H3,(H2,17,18,19)/t11-/m0/s1
InChIKeyBIZDHSJZXOELEG-NSHDSACASA-N
MW258.30 g/mol
LogP3.71
Rot. Bonds3

About 1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea

1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea (PubChem CID 6995379) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea
PubChem CID6995379
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea
SMILESC[C@H](NC(=O)Nc1ccccc1F)c1ccccc1
InChIInChI=1S/C15H15FN2O/c1-11(12-7-3-2-4-8-12)17-15(19)18-14-10-6-5-9-13(14)16/h2-11H,1H3,(H2,17,18,19)/t11-/m0/s1
InChIKeyBIZDHSJZXOELEG-NSHDSACASA-N
XLogP3.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(4-aminophenyl)ethyl]-3-(2-fluorophenyl)urea
CID 43298075
1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
CID 51579251
1-[1-(3-aminophenyl)ethyl]-3-(2-fluorophenyl)urea
CID 43298097
4-[1-[(2-fluorophenyl)carbamoylamino]ethyl]-N-hydroxybenzamide
CID 58417486
1-(2-methylphenyl)-3-(1-phenylethyl)urea
CID 19165597
1-(2-fluorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108866821
1-(2-fluorophenyl)-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 103765021
1-(2,3-difluorophenyl)-3-[1-(4-methylphenyl)ethyl]urea
CID 86856228
1-(5-fluoro-2-methylphenyl)-3-[(1S)-1-phenylethyl]urea
CID 51944551
1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea
CID 727758
1-[(4-chlorophenyl)-phenylmethyl]-3-(2-fluorophenyl)urea
CID 45352104
1-[1-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylphenyl)urea
CID 47032089

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea (CID 6995379) is 1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea is C[C@H](NC(=O)Nc1ccccc1F)c1ccccc1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea?
The InChIKey is BIZDHSJZXOELEG-NSHDSACASA-N. The full InChI is InChI=1S/C15H15FN2O/c1-11(12-7-3-2-4-8-12)17-15(19)18-14-10-6-5-9-13(14)16/h2-11H,1H3,(H2,17,18,19)/t11-/m0/s1.
What are the key properties of 1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea?
1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea has a molecular weight of 258.30 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea is sourced from PubChem (CID 6995379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).