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

C17H19FN2O2 — CID 51944583

IUPAC1-(4-ethylphenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
SMILESCCc1ccc(NC(=O)NC[C@@H](O)c2ccccc2F)cc1
InChIInChI=1S/C17H19FN2O2/c1-2-12-7-9-13(10-8-12)20-17(22)19-11-16(21)14-5-3-4-6-15(14)18/h3-10,16,21H,2,11H2,1H3,(H2,19,20,22)/t16-/m1/s1
InChIKeyRYRMXOULTKTACX-MRXNPFEDSA-N
MW302.35 g/mol
LogP3.24
Rot. Bonds5

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

1-(4-ethylphenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea (PubChem CID 51944583) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
PubChem CID51944583
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name1-(4-ethylphenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
SMILESCCc1ccc(NC(=O)NC[C@@H](O)c2ccccc2F)cc1
InChIInChI=1S/C17H19FN2O2/c1-2-12-7-9-13(10-8-12)20-17(22)19-11-16(21)14-5-3-4-6-15(14)18/h3-10,16,21H,2,11H2,1H3,(H2,19,20,22)/t16-/m1/s1
InChIKeyRYRMXOULTKTACX-MRXNPFEDSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 51080282
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea
CID 51939745
1-(4-cyanophenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 51724842
1-(3-fluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 94809233
1-(3,5-difluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 94811823
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-sulfamoylphenyl)urea
CID 42958119
1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(3-ethylphenyl)urea
CID 51944769
1-[3-(ethoxymethyl)phenyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110923034
2-(4-ethylphenoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide
CID 111566092
1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-phenylurea
CID 51729222
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
CID 42959013
1-(1-ethylindol-6-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 111446739

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea?
The IUPAC name of 1-(4-ethylphenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea (CID 51944583) is 1-(4-ethylphenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-(4-ethylphenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea is CCc1ccc(NC(=O)NC[C@@H](O)c2ccccc2F)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea?
The InChIKey is RYRMXOULTKTACX-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-2-12-7-9-13(10-8-12)20-17(22)19-11-16(21)14-5-3-4-6-15(14)18/h3-10,16,21H,2,11H2,1H3,(H2,19,20,22)/t16-/m1/s1.
What are the key properties of 1-(4-ethylphenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea?
1-(4-ethylphenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea has a molecular weight of 302.35 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea is sourced from PubChem (CID 51944583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).