1-(3-fluorophenyl)-3-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]urea

C16H17FN2O2 — CID 94801333

IUPAC1-(3-fluorophenyl)-3-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]urea
SMILESC[C@@H](O)c1ccc(CNC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C16H17FN2O2/c1-11(20)13-7-5-12(6-8-13)10-18-16(21)19-15-4-2-3-14(17)9-15/h2-9,11,20H,10H2,1H3,(H2,18,19,21)/t11-/m1/s1
InChIKeyMEMWKVPKVPIEEF-LLVKDONJSA-N
MW288.32 g/mol
LogP3.20
Rot. Bonds4

About 1-(3-fluorophenyl)-3-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]urea

1-(3-fluorophenyl)-3-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]urea (PubChem CID 94801333) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]urea
PubChem CID94801333
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name1-(3-fluorophenyl)-3-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]urea
SMILESC[C@@H](O)c1ccc(CNC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C16H17FN2O2/c1-11(20)13-7-5-12(6-8-13)10-18-16(21)19-15-4-2-3-14(17)9-15/h2-9,11,20H,10H2,1H3,(H2,18,19,21)/t11-/m1/s1
InChIKeyMEMWKVPKVPIEEF-LLVKDONJSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
CID 47154197
4-[[(3-fluorophenyl)carbamoylamino]methyl]-N-methylbenzamide
CID 86986467
1-[(3-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 3444082
1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 61346080
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(3-fluorophenyl)urea
CID 55739918
1-(1,3-benzodioxol-5-yl)-3-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]urea
CID 94504177
1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
CID 47172104
N-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylpropanamide
CID 47192808
2-(3-fluorophenyl)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]propanamide
CID 166214452
1-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(3-hydroxyphenyl)methyl]urea
CID 146084416
1-[(3-fluorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 47192931
1-[3-(1-hydroxyethyl)phenyl]-3-(thiophen-3-ylmethyl)urea
CID 55173709

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]urea (CID 94801333) is 1-(3-fluorophenyl)-3-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]urea is C[C@@H](O)c1ccc(CNC(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]urea?
The InChIKey is MEMWKVPKVPIEEF-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-11(20)13-7-5-12(6-8-13)10-18-16(21)19-15-4-2-3-14(17)9-15/h2-9,11,20H,10H2,1H3,(H2,18,19,21)/t11-/m1/s1.
What are the key properties of 1-(3-fluorophenyl)-3-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]urea?
1-(3-fluorophenyl)-3-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]urea has a molecular weight of 288.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]urea is sourced from PubChem (CID 94801333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).