1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylethyl)urea

C17H19FN2O2 — CID 110893367

IUPAC1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylethyl)urea
SMILESCC(NC(=O)NCC(O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H19FN2O2/c1-12(13-5-3-2-4-6-13)20-17(22)19-11-16(21)14-7-9-15(18)10-8-14/h2-10,12,16,21H,11H2,1H3,(H2,19,20,22)
InChIKeyHASABBOJRQQZID-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.92
Rot. Bonds5

About 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylethyl)urea

1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylethyl)urea (PubChem CID 110893367) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylethyl)urea
PubChem CID110893367
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylethyl)urea
SMILESCC(NC(=O)NCC(O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H19FN2O2/c1-12(13-5-3-2-4-6-13)20-17(22)19-11-16(21)14-7-9-15(18)10-8-14/h2-10,12,16,21H,11H2,1H3,(H2,19,20,22)
InChIKeyHASABBOJRQQZID-UHFFFAOYSA-N
XLogP2.92
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methylbutan-2-yl)urea
CID 110893315
1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea
CID 51290878
(1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 15983832
N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 40978744
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-phenylethyl)urea
CID 111119523
1-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]urea
CID 95587097
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 110895448
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110908567
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
CID 27868374
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
1-(2-hydroxypentyl)-3-(1-phenylethyl)urea
CID 111337741

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylethyl)urea?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylethyl)urea (CID 110893367) is 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylethyl)urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylethyl)urea is CC(NC(=O)NCC(O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylethyl)urea?
The InChIKey is HASABBOJRQQZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-12(13-5-3-2-4-6-13)20-17(22)19-11-16(21)14-7-9-15(18)10-8-14/h2-10,12,16,21H,11H2,1H3,(H2,19,20,22).
What are the key properties of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylethyl)urea?
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylethyl)urea has a molecular weight of 302.35 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylethyl)urea is sourced from PubChem (CID 110893367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).