[4-[[3-(3-chlorophenyl)-2-fluoro-4-hydroxyphenyl]methyl]phenyl]urea

C20H16ClFN2O2 — CID 58020201

IUPAC[4-[[3-(3-chlorophenyl)-2-fluoro-4-hydroxyphenyl]methyl]phenyl]urea
SMILESNC(=O)Nc1ccc(Cc2ccc(O)c(-c3cccc(Cl)c3)c2F)cc1
InChIInChI=1S/C20H16ClFN2O2/c21-15-3-1-2-13(11-15)18-17(25)9-6-14(19(18)22)10-12-4-7-16(8-5-12)24-20(23)26/h1-9,11,25H,10H2,(H3,23,24,26)
InChIKeyOSBXWUKRQXUZMD-UHFFFAOYSA-N
MW370.81 g/mol
LogP4.93
Rot. Bonds4

About [4-[[3-(3-chlorophenyl)-2-fluoro-4-hydroxyphenyl]methyl]phenyl]urea

[4-[[3-(3-chlorophenyl)-2-fluoro-4-hydroxyphenyl]methyl]phenyl]urea (PubChem CID 58020201) has the molecular formula C20H16ClFN2O2 and a molecular weight of 370.81 g/mol. Its IUPAC name is [4-[[3-(3-chlorophenyl)-2-fluoro-4-hydroxyphenyl]methyl]phenyl]urea.

Molecular Properties

Compound Name[4-[[3-(3-chlorophenyl)-2-fluoro-4-hydroxyphenyl]methyl]phenyl]urea
PubChem CID58020201
Molecular FormulaC20H16ClFN2O2
Molecular Weight370.81 g/mol
Exact Mass370.09
IUPAC Name[4-[[3-(3-chlorophenyl)-2-fluoro-4-hydroxyphenyl]methyl]phenyl]urea
SMILESNC(=O)Nc1ccc(Cc2ccc(O)c(-c3cccc(Cl)c3)c2F)cc1
InChIInChI=1S/C20H16ClFN2O2/c21-15-3-1-2-13(11-15)18-17(25)9-6-14(19(18)22)10-12-4-7-16(8-5-12)24-20(23)26/h1-9,11,25H,10H2,(H3,23,24,26)
InChIKeyOSBXWUKRQXUZMD-UHFFFAOYSA-N
XLogP4.93
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.81
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[[3-(3-chlorophenyl)-2-fluoro-4-hydroxyphenyl]methyl]phenyl]urea?
The IUPAC name of [4-[[3-(3-chlorophenyl)-2-fluoro-4-hydroxyphenyl]methyl]phenyl]urea (CID 58020201) is [4-[[3-(3-chlorophenyl)-2-fluoro-4-hydroxyphenyl]methyl]phenyl]urea.
What is the SMILES notation for [4-[[3-(3-chlorophenyl)-2-fluoro-4-hydroxyphenyl]methyl]phenyl]urea?
The canonical SMILES for [4-[[3-(3-chlorophenyl)-2-fluoro-4-hydroxyphenyl]methyl]phenyl]urea is NC(=O)Nc1ccc(Cc2ccc(O)c(-c3cccc(Cl)c3)c2F)cc1.
What is the InChIKey of [4-[[3-(3-chlorophenyl)-2-fluoro-4-hydroxyphenyl]methyl]phenyl]urea?
The InChIKey is OSBXWUKRQXUZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O2/c21-15-3-1-2-13(11-15)18-17(25)9-6-14(19(18)22)10-12-4-7-16(8-5-12)24-20(23)26/h1-9,11,25H,10H2,(H3,23,24,26).
What are the key properties of [4-[[3-(3-chlorophenyl)-2-fluoro-4-hydroxyphenyl]methyl]phenyl]urea?
[4-[[3-(3-chlorophenyl)-2-fluoro-4-hydroxyphenyl]methyl]phenyl]urea has a molecular weight of 370.81 g/mol, XLogP of 4.93, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(3-chlorophenyl)-2-fluoro-4-hydroxyphenyl]methyl]phenyl]urea is sourced from PubChem (CID 58020201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).