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

C15H16FN3O2 — CID 61030478

IUPAC1-[2-(4-aminophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)urea
SMILESNc1ccc(C(O)CNC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C15H16FN3O2/c16-11-2-1-3-13(8-11)19-15(21)18-9-14(20)10-4-6-12(17)7-5-10/h1-8,14,20H,9,17H2,(H2,18,19,21)
InChIKeyCBKZKPDRTMUGHD-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.26
Rot. Bonds4

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

1-[2-(4-aminophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)urea (PubChem CID 61030478) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 1-[2-(4-aminophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[2-(4-aminophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)urea
PubChem CID61030478
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name1-[2-(4-aminophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)urea
SMILESNc1ccc(C(O)CNC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C15H16FN3O2/c16-11-2-1-3-13(8-11)19-15(21)18-9-14(20)10-4-6-12(17)7-5-10/h1-8,14,20H,9,17H2,(H2,18,19,21)
InChIKeyCBKZKPDRTMUGHD-UHFFFAOYSA-N
XLogP2.26
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 94809233
1-[3-(ethylsulfanylmethyl)phenyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 111475152
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55738407
1-(3-fluorophenyl)-3-(2-hydroxypentyl)urea
CID 111119363
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea
CID 86837879
1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[3-[(4-fluorophenyl)methoxy]phenyl]urea
CID 56520326
1-(3-fluorophenyl)-3-(2-methylsulfanylpropyl)urea
CID 71844690
1-(2-hydroxy-2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2812620
1-(3-ethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 51944765
1-(3-fluorophenyl)-3-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]urea
CID 94801333
1-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(3-fluorophenyl)urea
CID 76953085
1-(2,6-difluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110890491

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[2-(4-aminophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)urea (CID 61030478) is 1-[2-(4-aminophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[2-(4-aminophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[2-(4-aminophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)urea is Nc1ccc(C(O)CNC(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of 1-[2-(4-aminophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)urea?
The InChIKey is CBKZKPDRTMUGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-11-2-1-3-13(8-11)19-15(21)18-9-14(20)10-4-6-12(17)7-5-10/h1-8,14,20H,9,17H2,(H2,18,19,21).
What are the key properties of 1-[2-(4-aminophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)urea?
1-[2-(4-aminophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)urea has a molecular weight of 289.31 g/mol, XLogP of 2.26, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)urea is sourced from PubChem (CID 61030478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).