1-[2-(4-fluorophenyl)ethyl]-3-[(4-methylphenoxy)methyl]urea

C17H19FN2O2 — CID 108893063

IUPAC1-[2-(4-fluorophenyl)ethyl]-3-[(4-methylphenoxy)methyl]urea
SMILESCc1ccc(OCNC(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H19FN2O2/c1-13-2-8-16(9-3-13)22-12-20-17(21)19-11-10-14-4-6-15(18)7-5-14/h2-9H,10-12H2,1H3,(H2,19,20,21)
InChIKeyOQMRAIRMHCPBTR-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.01
Rot. Bonds6

About 1-[2-(4-fluorophenyl)ethyl]-3-[(4-methylphenoxy)methyl]urea

1-[2-(4-fluorophenyl)ethyl]-3-[(4-methylphenoxy)methyl]urea (PubChem CID 108893063) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-3-[(4-methylphenoxy)methyl]urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-3-[(4-methylphenoxy)methyl]urea
PubChem CID108893063
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-3-[(4-methylphenoxy)methyl]urea
SMILESCc1ccc(OCNC(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H19FN2O2/c1-13-2-8-16(9-3-13)22-12-20-17(21)19-11-10-14-4-6-15(18)7-5-14/h2-9H,10-12H2,1H3,(H2,19,20,21)
InChIKeyOQMRAIRMHCPBTR-UHFFFAOYSA-N
XLogP3.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(4-ethoxyphenoxy)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108890945
1-[2-(4-fluorophenyl)ethyl]-3-(methoxymethyl)urea
CID 110675926
1-[2-(4-methylphenyl)ethyl]-3-[(2,3,6-trimethylphenoxy)methyl]urea
CID 108880426
1-[(2,3-dimethylphenoxy)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 108878491
1-[(4-chlorophenoxy)methyl]-3-[2-(4-chlorophenyl)ethyl]urea
CID 108885405
1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3856338
1-[2-(4-fluorophenyl)ethyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874692
1-[(4-ethoxyphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108884612
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970038
1-(3-chloropropyl)-3-[(4-methylphenoxy)methyl]urea
CID 108892893
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108908257
N-[2-(4-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 24606211

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-[(4-methylphenoxy)methyl]urea?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-[(4-methylphenoxy)methyl]urea (CID 108893063) is 1-[2-(4-fluorophenyl)ethyl]-3-[(4-methylphenoxy)methyl]urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-3-[(4-methylphenoxy)methyl]urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-3-[(4-methylphenoxy)methyl]urea is Cc1ccc(OCNC(=O)NCCc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-3-[(4-methylphenoxy)methyl]urea?
The InChIKey is OQMRAIRMHCPBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-13-2-8-16(9-3-13)22-12-20-17(21)19-11-10-14-4-6-15(18)7-5-14/h2-9H,10-12H2,1H3,(H2,19,20,21).
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-3-[(4-methylphenoxy)methyl]urea?
1-[2-(4-fluorophenyl)ethyl]-3-[(4-methylphenoxy)methyl]urea has a molecular weight of 302.35 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-3-[(4-methylphenoxy)methyl]urea is sourced from PubChem (CID 108893063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).