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

C16H17FN2O2 — CID 51939745

IUPAC1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC[C@@H](O)c2ccccc2F)cc1
InChIInChI=1S/C16H17FN2O2/c1-11-6-8-12(9-7-11)19-16(21)18-10-15(20)13-4-2-3-5-14(13)17/h2-9,15,20H,10H2,1H3,(H2,18,19,21)/t15-/m1/s1
InChIKeyDJSZJYRPVIUKBS-OAHLLOKOSA-N
MW288.32 g/mol
LogP2.99
Rot. Bonds4

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

1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea (PubChem CID 51939745) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea
PubChem CID51939745
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC[C@@H](O)c2ccccc2F)cc1
InChIInChI=1S/C16H17FN2O2/c1-11-6-8-12(9-7-11)19-16(21)18-10-15(20)13-4-2-3-5-14(13)17/h2-9,15,20H,10H2,1H3,(H2,18,19,21)/t15-/m1/s1
InChIKeyDJSZJYRPVIUKBS-OAHLLOKOSA-N
XLogP2.99
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.99
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-(4-ethylphenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 51944583
1-(4-cyanophenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 51724842
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-(3-fluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 94809233
1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylphenoxy)phenyl]urea
CID 112824759
4-acetamido-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566086
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 75876666
1-(1,3-benzodioxol-5-yl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 52580627
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
CID 60545716
N'-(4-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide
CID 110893729

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea (CID 51939745) is 1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NC[C@@H](O)c2ccccc2F)cc1.
What is the InChIKey of 1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea?
The InChIKey is DJSZJYRPVIUKBS-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-11-6-8-12(9-7-11)19-16(21)18-10-15(20)13-4-2-3-5-14(13)17/h2-9,15,20H,10H2,1H3,(H2,18,19,21)/t15-/m1/s1.
What are the key properties of 1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea?
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea has a molecular weight of 288.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 51939745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).