1-[(3-fluoro-4-methylphenyl)methyl]-3-[3-(2-hydroxyethoxy)propyl]urea

C14H21FN2O3 — CID 110019204

IUPAC1-[(3-fluoro-4-methylphenyl)methyl]-3-[3-(2-hydroxyethoxy)propyl]urea
SMILESCc1ccc(CNC(=O)NCCCOCCO)cc1F
InChIInChI=1S/C14H21FN2O3/c1-11-3-4-12(9-13(11)15)10-17-14(19)16-5-2-7-20-8-6-18/h3-4,9,18H,2,5-8,10H2,1H3,(H2,16,17,19)
InChIKeyXSZIRUNBOPHCQS-UHFFFAOYSA-N
MW284.33 g/mol
LogP1.33
Rot. Bonds8

About 1-[(3-fluoro-4-methylphenyl)methyl]-3-[3-(2-hydroxyethoxy)propyl]urea

1-[(3-fluoro-4-methylphenyl)methyl]-3-[3-(2-hydroxyethoxy)propyl]urea (PubChem CID 110019204) has the molecular formula C14H21FN2O3 and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methylphenyl)methyl]-3-[3-(2-hydroxyethoxy)propyl]urea.

Molecular Properties

Compound Name1-[(3-fluoro-4-methylphenyl)methyl]-3-[3-(2-hydroxyethoxy)propyl]urea
PubChem CID110019204
Molecular FormulaC14H21FN2O3
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name1-[(3-fluoro-4-methylphenyl)methyl]-3-[3-(2-hydroxyethoxy)propyl]urea
SMILESCc1ccc(CNC(=O)NCCCOCCO)cc1F
InChIInChI=1S/C14H21FN2O3/c1-11-3-4-12(9-13(11)15)10-17-14(19)16-5-2-7-20-8-6-18/h3-4,9,18H,2,5-8,10H2,1H3,(H2,16,17,19)
InChIKeyXSZIRUNBOPHCQS-UHFFFAOYSA-N
XLogP1.33
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(3-fluoro-4-methylphenyl)methylamino]ethoxy]ethanol
CID 63646363
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 38949085
1-[(3-fluoro-4-methylphenyl)methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111487059
2-[(3-fluoro-4-methylphenyl)methylcarbamoylamino]-N-propan-2-ylacetamide
CID 17417817
1-(2-fluoro-5-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110020612
5-fluoro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzamide
CID 113364744
1-[(3-fluoro-4-methylphenyl)methyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111444613
1-(3-butoxypropyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868142
1-[(3-fluoro-4-methylphenyl)methyl]-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 111424633
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-hydroxyethylsulfanyl)acetamide
CID 43394169
1-(3-butoxypropyl)-3-[(3-chlorophenyl)methyl]urea
CID 108898647
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936095

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methylphenyl)methyl]-3-[3-(2-hydroxyethoxy)propyl]urea?
The IUPAC name of 1-[(3-fluoro-4-methylphenyl)methyl]-3-[3-(2-hydroxyethoxy)propyl]urea (CID 110019204) is 1-[(3-fluoro-4-methylphenyl)methyl]-3-[3-(2-hydroxyethoxy)propyl]urea.
What is the SMILES notation for 1-[(3-fluoro-4-methylphenyl)methyl]-3-[3-(2-hydroxyethoxy)propyl]urea?
The canonical SMILES for 1-[(3-fluoro-4-methylphenyl)methyl]-3-[3-(2-hydroxyethoxy)propyl]urea is Cc1ccc(CNC(=O)NCCCOCCO)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-methylphenyl)methyl]-3-[3-(2-hydroxyethoxy)propyl]urea?
The InChIKey is XSZIRUNBOPHCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3/c1-11-3-4-12(9-13(11)15)10-17-14(19)16-5-2-7-20-8-6-18/h3-4,9,18H,2,5-8,10H2,1H3,(H2,16,17,19).
What are the key properties of 1-[(3-fluoro-4-methylphenyl)methyl]-3-[3-(2-hydroxyethoxy)propyl]urea?
1-[(3-fluoro-4-methylphenyl)methyl]-3-[3-(2-hydroxyethoxy)propyl]urea has a molecular weight of 284.33 g/mol, XLogP of 1.33, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methylphenyl)methyl]-3-[3-(2-hydroxyethoxy)propyl]urea is sourced from PubChem (CID 110019204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).