1-(2,5-dimethylphenyl)-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]urea

C18H21FN2O3 — CID 110903857

IUPAC1-(2,5-dimethylphenyl)-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]urea
SMILESCc1ccc(C)c(NC(=O)NCC(O)COc2ccc(F)cc2)c1
InChIInChI=1S/C18H21FN2O3/c1-12-3-4-13(2)17(9-12)21-18(23)20-10-15(22)11-24-16-7-5-14(19)6-8-16/h3-9,15,22H,10-11H2,1-2H3,(H2,20,21,23)
InChIKeyGDNLKXHPUKXWBE-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.00
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]urea

1-(2,5-dimethylphenyl)-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]urea (PubChem CID 110903857) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]urea
PubChem CID110903857
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name1-(2,5-dimethylphenyl)-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]urea
SMILESCc1ccc(C)c(NC(=O)NCC(O)COc2ccc(F)cc2)c1
InChIInChI=1S/C18H21FN2O3/c1-12-3-4-13(2)17(9-12)21-18(23)20-10-15(22)11-24-16-7-5-14(19)6-8-16/h3-9,15,22H,10-11H2,1-2H3,(H2,20,21,23)
InChIKeyGDNLKXHPUKXWBE-UHFFFAOYSA-N
XLogP3.00
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110904652
1-(2,5-difluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110931993
3-fluoro-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylbenzamide
CID 111477313
N-(2,5-dimethylphenyl)-3-(4-fluorophenoxy)propanamide
CID 31847881
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-(2-methylphenyl)acetamide
CID 111110931
1-(2,3-dimethylphenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110907958
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea
CID 111452505
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide
CID 119751723
1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108990551
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylpyridine-3-carboxamide
CID 111477320
(Z)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylbut-2-enamide
CID 111883336
N-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-4-methyl-3-nitrobenzamide
CID 94819249

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]urea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]urea (CID 110903857) is 1-(2,5-dimethylphenyl)-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]urea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]urea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]urea is Cc1ccc(C)c(NC(=O)NCC(O)COc2ccc(F)cc2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]urea?
The InChIKey is GDNLKXHPUKXWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-12-3-4-13(2)17(9-12)21-18(23)20-10-15(22)11-24-16-7-5-14(19)6-8-16/h3-9,15,22H,10-11H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(2,5-dimethylphenyl)-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]urea?
1-(2,5-dimethylphenyl)-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]urea has a molecular weight of 332.38 g/mol, XLogP of 3.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]urea is sourced from PubChem (CID 110903857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).