1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(2-methoxyethyl)urea

C14H19FN2O2 — CID 45497264

IUPAC1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H19FN2O2/c1-19-9-8-16-13(18)17-10-14(6-7-14)11-2-4-12(15)5-3-11/h2-5H,6-10H2,1H3,(H2,16,17,18)
InChIKeyZNVVDQHWRLKZOT-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.80
Rot. Bonds6

About 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(2-methoxyethyl)urea

1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(2-methoxyethyl)urea (PubChem CID 45497264) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(2-methoxyethyl)urea
PubChem CID45497264
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H19FN2O2/c1-19-9-8-16-13(18)17-10-14(6-7-14)11-2-4-12(15)5-3-11/h2-5H,6-10H2,1H3,(H2,16,17,18)
InChIKeyZNVVDQHWRLKZOT-UHFFFAOYSA-N
XLogP1.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.80
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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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(2-methoxyethyl)urea (CID 45497264) is 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(2-methoxyethyl)urea is COCCNC(=O)NCC1(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(2-methoxyethyl)urea?
The InChIKey is ZNVVDQHWRLKZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-19-9-8-16-13(18)17-10-14(6-7-14)11-2-4-12(15)5-3-11/h2-5H,6-10H2,1H3,(H2,16,17,18).
What are the key properties of 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(2-methoxyethyl)urea?
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(2-methoxyethyl)urea has a molecular weight of 266.32 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 45497264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).