3-[(2,5-difluorophenyl)methyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea

C19H22F2N2O2 — CID 111722396

IUPAC3-[(2,5-difluorophenyl)methyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
SMILESCCN(CC(O)c1ccc(C)cc1)C(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C19H22F2N2O2/c1-3-23(12-18(24)14-6-4-13(2)5-7-14)19(25)22-11-15-10-16(20)8-9-17(15)21/h4-10,18,24H,3,11-12H2,1-2H3,(H,22,25)
InChIKeyDJTXWIUXYGRQHG-UHFFFAOYSA-N
MW348.39 g/mol
LogP3.54
Rot. Bonds6

About 3-[(2,5-difluorophenyl)methyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea

3-[(2,5-difluorophenyl)methyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea (PubChem CID 111722396) has the molecular formula C19H22F2N2O2 and a molecular weight of 348.39 g/mol. Its IUPAC name is 3-[(2,5-difluorophenyl)methyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name3-[(2,5-difluorophenyl)methyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
PubChem CID111722396
Molecular FormulaC19H22F2N2O2
Molecular Weight348.39 g/mol
Exact Mass348.16
IUPAC Name3-[(2,5-difluorophenyl)methyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
SMILESCCN(CC(O)c1ccc(C)cc1)C(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C19H22F2N2O2/c1-3-23(12-18(24)14-6-4-13(2)5-7-14)19(25)22-11-15-10-16(20)8-9-17(15)21/h4-10,18,24H,3,11-12H2,1-2H3,(H,22,25)
InChIKeyDJTXWIUXYGRQHG-UHFFFAOYSA-N
XLogP3.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 111722471
3-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 111722248
3-[(2,4-difluorophenyl)methyl]-1,1-diethylurea
CID 115598131
3-(dicyclopropylmethyl)-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 111722268
3-[(2,5-difluorophenyl)methylcarbamoyl-ethylamino]butanoic acid
CID 63791386
3-[(2,4-difluorophenyl)methylcarbamoyl-ethylamino]propanoic acid
CID 62227208
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562
2-[(2,5-difluorophenyl)methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 95126403
3-[(2-fluoro-5-methylphenyl)methyl]-1-hydroxy-1-methylurea
CID 59946035
1-[(2,5-difluorophenyl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 111102262
1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea
CID 111722540
4-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoyl]benzoic acid
CID 119186471

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluorophenyl)methyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea?
The IUPAC name of 3-[(2,5-difluorophenyl)methyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea (CID 111722396) is 3-[(2,5-difluorophenyl)methyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 3-[(2,5-difluorophenyl)methyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 3-[(2,5-difluorophenyl)methyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea is CCN(CC(O)c1ccc(C)cc1)C(=O)NCc1cc(F)ccc1F.
What is the InChIKey of 3-[(2,5-difluorophenyl)methyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea?
The InChIKey is DJTXWIUXYGRQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2/c1-3-23(12-18(24)14-6-4-13(2)5-7-14)19(25)22-11-15-10-16(20)8-9-17(15)21/h4-10,18,24H,3,11-12H2,1-2H3,(H,22,25).
What are the key properties of 3-[(2,5-difluorophenyl)methyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea?
3-[(2,5-difluorophenyl)methyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea has a molecular weight of 348.39 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-difluorophenyl)methyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 111722396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).