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

C16H16ClFN2O2 — CID 112970906

IUPAC1-[2-(4-chlorophenoxy)ethyl]-3-[(2-fluorophenyl)methyl]urea
SMILESO=C(NCCOc1ccc(Cl)cc1)NCc1ccccc1F
InChIInChI=1S/C16H16ClFN2O2/c17-13-5-7-14(8-6-13)22-10-9-19-16(21)20-11-12-3-1-2-4-15(12)18/h1-8H,9-11H2,(H2,19,20,21)
InChIKeySDOANGIQXKUTES-UHFFFAOYSA-N
MW322.77 g/mol
LogP3.36
Rot. Bonds6

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

1-[2-(4-chlorophenoxy)ethyl]-3-[(2-fluorophenyl)methyl]urea (PubChem CID 112970906) has the molecular formula C16H16ClFN2O2 and a molecular weight of 322.77 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-3-[(2-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-3-[(2-fluorophenyl)methyl]urea
PubChem CID112970906
Molecular FormulaC16H16ClFN2O2
Molecular Weight322.77 g/mol
Exact Mass322.09
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-3-[(2-fluorophenyl)methyl]urea
SMILESO=C(NCCOc1ccc(Cl)cc1)NCc1ccccc1F
InChIInChI=1S/C16H16ClFN2O2/c17-13-5-7-14(8-6-13)22-10-9-19-16(21)20-11-12-3-1-2-4-15(12)18/h1-8H,9-11H2,(H2,19,20,21)
InChIKeySDOANGIQXKUTES-UHFFFAOYSA-N
XLogP3.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-chlorophenoxy)ethyl]-3-[(2-chlorophenyl)methyl]urea
CID 112970907
1-[2-(3,4-difluorophenoxy)ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111435092
1-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108897731
1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112970952
1-(3-ethoxypropyl)-3-[(2-fluorophenyl)methyl]urea
CID 108897476
2-(2-bromophenyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide
CID 113099511
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 110924287
1-[2-(4-fluorophenoxy)ethyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 55743958
1-(3-aminopropyl)-3-[(2-fluorophenyl)methyl]urea
CID 117235553
N-[(2-fluorophenyl)methyl]-3-phenoxypropanamide
CID 110755454
1-[(4-chlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108885386
1-[2-(4-chlorophenoxy)ethyl]-3-(3,4-difluorophenyl)urea
CID 112971005

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-3-[(2-fluorophenyl)methyl]urea?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-3-[(2-fluorophenyl)methyl]urea (CID 112970906) is 1-[2-(4-chlorophenoxy)ethyl]-3-[(2-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-3-[(2-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-3-[(2-fluorophenyl)methyl]urea is O=C(NCCOc1ccc(Cl)cc1)NCc1ccccc1F.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-3-[(2-fluorophenyl)methyl]urea?
The InChIKey is SDOANGIQXKUTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O2/c17-13-5-7-14(8-6-13)22-10-9-19-16(21)20-11-12-3-1-2-4-15(12)18/h1-8H,9-11H2,(H2,19,20,21).
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-3-[(2-fluorophenyl)methyl]urea?
1-[2-(4-chlorophenoxy)ethyl]-3-[(2-fluorophenyl)methyl]urea has a molecular weight of 322.77 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]-3-[(2-fluorophenyl)methyl]urea is sourced from PubChem (CID 112970906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).