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

C22H21FN2O3 — CID 60543304

IUPAC1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(phenoxymethyl)phenyl]urea
SMILESO=C(NCC(O)c1ccc(F)cc1)Nc1ccccc1COc1ccccc1
InChIInChI=1S/C22H21FN2O3/c23-18-12-10-16(11-13-18)21(26)14-24-22(27)25-20-9-5-4-6-17(20)15-28-19-7-2-1-3-8-19/h1-13,21,26H,14-15H2,(H2,24,25,27)
InChIKeyBFBSWNHMJHOVIW-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.26
Rot. Bonds7

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

1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(phenoxymethyl)phenyl]urea (PubChem CID 60543304) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(phenoxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(phenoxymethyl)phenyl]urea
PubChem CID60543304
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC Name1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(phenoxymethyl)phenyl]urea
SMILESO=C(NCC(O)c1ccc(F)cc1)Nc1ccccc1COc1ccccc1
InChIInChI=1S/C22H21FN2O3/c23-18-12-10-16(11-13-18)21(26)14-24-22(27)25-20-9-5-4-6-17(20)15-28-19-7-2-1-3-8-19/h1-13,21,26H,14-15H2,(H2,24,25,27)
InChIKeyBFBSWNHMJHOVIW-UHFFFAOYSA-N
XLogP4.26
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[2-(phenoxymethyl)phenyl]urea
CID 60544437
1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110890317
1-(4-hydroxy-2-methylbutyl)-3-[2-(phenoxymethyl)phenyl]urea
CID 111474002
1-[2-(phenoxymethyl)phenyl]-3-propylurea
CID 60545912
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylethyl)urea
CID 110893367
1-(2,6-difluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110890491
1-[2-(2-ethoxyphenyl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110929828
1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[3-[(4-fluorophenyl)methoxy]phenyl]urea
CID 56520326
1-[2-[(2,2-dichlorocyclopropyl)methylsulfanyl]phenyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 78893729
1-(2,5-dichlorophenyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 52591003
1-(2,4-dichlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 75876358
1-[4-(dimethylamino)-2-methylphenyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110891386

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(phenoxymethyl)phenyl]urea?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(phenoxymethyl)phenyl]urea (CID 60543304) is 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(phenoxymethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(phenoxymethyl)phenyl]urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(phenoxymethyl)phenyl]urea is O=C(NCC(O)c1ccc(F)cc1)Nc1ccccc1COc1ccccc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(phenoxymethyl)phenyl]urea?
The InChIKey is BFBSWNHMJHOVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c23-18-12-10-16(11-13-18)21(26)14-24-22(27)25-20-9-5-4-6-17(20)15-28-19-7-2-1-3-8-19/h1-13,21,26H,14-15H2,(H2,24,25,27).
What are the key properties of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(phenoxymethyl)phenyl]urea?
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(phenoxymethyl)phenyl]urea has a molecular weight of 380.42 g/mol, XLogP of 4.26, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(phenoxymethyl)phenyl]urea is sourced from PubChem (CID 60543304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).