1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methoxyurea

C12H15FN2O2 — CID 56806394

IUPAC1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methoxyurea
SMILESCONC(=O)NCC1(c2ccccc2F)CC1
InChIInChI=1S/C12H15FN2O2/c1-17-15-11(16)14-8-12(6-7-12)9-4-2-3-5-10(9)13/h2-5H,6-8H2,1H3,(H2,14,15,16)
InChIKeyQANGDJZIBDYEPL-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.72
Rot. Bonds4

About 1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methoxyurea

1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methoxyurea (PubChem CID 56806394) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methoxyurea.

Molecular Properties

Compound Name1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methoxyurea
PubChem CID56806394
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methoxyurea
SMILESCONC(=O)NCC1(c2ccccc2F)CC1
InChIInChI=1S/C12H15FN2O2/c1-17-15-11(16)14-8-12(6-7-12)9-4-2-3-5-10(9)13/h2-5H,6-8H2,1H3,(H2,14,15,16)
InChIKeyQANGDJZIBDYEPL-UHFFFAOYSA-N
XLogP1.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methoxyurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea
CID 47159768
2-amino-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 110480076
1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-[[(3R)-3-hydroxythiolan-3-yl]methyl]urea
CID 97079912
4-[[1-(2-fluorophenyl)cyclopropyl]methylamino]-4-oxobutanoic acid
CID 110481809
methyl N-[[1-(2-methylsulfanylphenyl)cyclopropyl]methyl]carbamate
CID 110477808
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 110481986
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide
CID 110481000
(2E,4E)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]hexa-2,4-dienamide
CID 110481161
1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-2,3-dimethylguanidine
CID 86777752
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]urea
CID 71981655
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)-4-methylpiperidine-1-carboxamide
CID 86792113
1-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-methoxyurea
CID 56805862

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methoxyurea?
The IUPAC name of 1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methoxyurea (CID 56806394) is 1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methoxyurea.
What is the SMILES notation for 1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methoxyurea?
The canonical SMILES for 1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methoxyurea is CONC(=O)NCC1(c2ccccc2F)CC1.
What is the InChIKey of 1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methoxyurea?
The InChIKey is QANGDJZIBDYEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-17-15-11(16)14-8-12(6-7-12)9-4-2-3-5-10(9)13/h2-5H,6-8H2,1H3,(H2,14,15,16).
What are the key properties of 1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methoxyurea?
1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methoxyurea has a molecular weight of 238.26 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-methoxyurea is sourced from PubChem (CID 56806394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).