1-(4-fluoro-2-methoxyphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea

C15H23FN2O3 — CID 111120547

IUPAC1-(4-fluoro-2-methoxyphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
SMILESCCC(C)C(C)(O)CNC(=O)Nc1ccc(F)cc1OC
InChIInChI=1S/C15H23FN2O3/c1-5-10(2)15(3,20)9-17-14(19)18-12-7-6-11(16)8-13(12)21-4/h6-8,10,20H,5,9H2,1-4H3,(H2,17,18,19)
InChIKeyFPTOSNLHSOCPEY-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.75
Rot. Bonds6

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

1-(4-fluoro-2-methoxyphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea (PubChem CID 111120547) has the molecular formula C15H23FN2O3 and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-(4-fluoro-2-methoxyphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea.

Molecular Properties

Compound Name1-(4-fluoro-2-methoxyphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
PubChem CID111120547
Molecular FormulaC15H23FN2O3
Molecular Weight298.36 g/mol
Exact Mass298.17
IUPAC Name1-(4-fluoro-2-methoxyphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
SMILESCCC(C)C(C)(O)CNC(=O)Nc1ccc(F)cc1OC
InChIInChI=1S/C15H23FN2O3/c1-5-10(2)15(3,20)9-17-14(19)18-12-7-6-11(16)8-13(12)21-4/h6-8,10,20H,5,9H2,1-4H3,(H2,17,18,19)
InChIKeyFPTOSNLHSOCPEY-UHFFFAOYSA-N
XLogP2.75
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-diethyl-4-hydroxybutyl)-3-(4-fluoro-2-methoxyphenyl)urea
CID 111521074
1-(2-ethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111120487
1-(2,5-dimethylphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111120346
N-(2-hydroxy-2,3-dimethylpentyl)-2-(2-methoxyphenyl)acetamide
CID 111446516
1-(2-ethoxyethyl)-3-(4-fluoro-2-methoxyphenyl)urea
CID 47248250
1-(2,4-difluorophenyl)-3-(2-hydroxy-2,4-dimethylpentyl)urea
CID 66179176
5-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-2-methylbenzamide
CID 111446571
3-(4-fluoro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 114898275
N-(4-fluoro-2-methoxyphenyl)-3-methyl-2-phenylpentanamide
CID 55593206
N-(2-hydroxy-2,3-dimethylpentyl)-3-(2-methoxyphenyl)-2,2-dimethylpropanamide
CID 111486022
1-(4-fluoro-2-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111572987
2-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4,4-dimethylpentanamide
CID 107471938

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea?
The IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea (CID 111120547) is 1-(4-fluoro-2-methoxyphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea.
What is the SMILES notation for 1-(4-fluoro-2-methoxyphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea?
The canonical SMILES for 1-(4-fluoro-2-methoxyphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea is CCC(C)C(C)(O)CNC(=O)Nc1ccc(F)cc1OC.
What is the InChIKey of 1-(4-fluoro-2-methoxyphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea?
The InChIKey is FPTOSNLHSOCPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3/c1-5-10(2)15(3,20)9-17-14(19)18-12-7-6-11(16)8-13(12)21-4/h6-8,10,20H,5,9H2,1-4H3,(H2,17,18,19).
What are the key properties of 1-(4-fluoro-2-methoxyphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea?
1-(4-fluoro-2-methoxyphenyl)-3-(2-hydroxy-2,3-dimethylpentyl)urea has a molecular weight of 298.36 g/mol, XLogP of 2.75, 6 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-(2-hydroxy-2,3-dimethylpentyl)urea is sourced from PubChem (CID 111120547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).