1-(4-fluoro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea

C18H21FN2O3 — CID 111453003

IUPAC1-(4-fluoro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
SMILESCOc1cc(F)ccc1NC(=O)NCC(CCO)c1ccccc1
InChIInChI=1S/C18H21FN2O3/c1-24-17-11-15(19)7-8-16(17)21-18(23)20-12-14(9-10-22)13-5-3-2-4-6-13/h2-8,11,14,22H,9-10,12H2,1H3,(H2,20,21,23)
InChIKeyYTYVWQWEYKKHHF-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.12
Rot. Bonds7

About 1-(4-fluoro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea

1-(4-fluoro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea (PubChem CID 111453003) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-(4-fluoro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea.

Molecular Properties

Compound Name1-(4-fluoro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
PubChem CID111453003
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name1-(4-fluoro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
SMILESCOc1cc(F)ccc1NC(=O)NCC(CCO)c1ccccc1
InChIInChI=1S/C18H21FN2O3/c1-24-17-11-15(19)7-8-16(17)21-18(23)20-12-14(9-10-22)13-5-3-2-4-6-13/h2-8,11,14,22H,9-10,12H2,1H3,(H2,20,21,23)
InChIKeyYTYVWQWEYKKHHF-UHFFFAOYSA-N
XLogP3.12
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111452641
1-(4-hydroxy-2-phenylbutyl)-3-(2-methoxy-5-methylphenyl)urea
CID 111452697
1-(2-cyano-4-fluorophenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111926804
1-(2-methoxyphenyl)-3-(2-phenylbutyl)urea
CID 46647393
1-(3-chloro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111453246
1-(2,4-difluorophenyl)-3-(2-phenylbutyl)urea
CID 46647394
1-(4-fluoro-2-methoxyphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111473635
N-(4-fluoro-2-methoxyphenyl)-3-methyl-2-phenylpentanamide
CID 55593206
1-(4-fluoro-2-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 78877901
N-(4-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 32608110
1-(4-fluoro-2-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111572987
1-(3-ethoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111453141

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea?
The IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea (CID 111453003) is 1-(4-fluoro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea.
What is the SMILES notation for 1-(4-fluoro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea?
The canonical SMILES for 1-(4-fluoro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea is COc1cc(F)ccc1NC(=O)NCC(CCO)c1ccccc1.
What is the InChIKey of 1-(4-fluoro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea?
The InChIKey is YTYVWQWEYKKHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-24-17-11-15(19)7-8-16(17)21-18(23)20-12-14(9-10-22)13-5-3-2-4-6-13/h2-8,11,14,22H,9-10,12H2,1H3,(H2,20,21,23).
What are the key properties of 1-(4-fluoro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea?
1-(4-fluoro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea has a molecular weight of 332.38 g/mol, XLogP of 3.12, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea is sourced from PubChem (CID 111453003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).