1-[(4-fluorophenyl)methoxy]-3-propan-2-ylurea

C11H15FN2O2 — CID 154752561

IUPAC1-[(4-fluorophenyl)methoxy]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NOCc1ccc(F)cc1
InChIInChI=1S/C11H15FN2O2/c1-8(2)13-11(15)14-16-7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H2,13,14,15)
InChIKeyDQGMRVYWCAHDNV-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.96
Rot. Bonds4

About 1-[(4-fluorophenyl)methoxy]-3-propan-2-ylurea

1-[(4-fluorophenyl)methoxy]-3-propan-2-ylurea (PubChem CID 154752561) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methoxy]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methoxy]-3-propan-2-ylurea
PubChem CID154752561
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name1-[(4-fluorophenyl)methoxy]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NOCc1ccc(F)cc1
InChIInChI=1S/C11H15FN2O2/c1-8(2)13-11(15)14-16-7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H2,13,14,15)
InChIKeyDQGMRVYWCAHDNV-UHFFFAOYSA-N
XLogP1.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(4-fluorophenyl)methoxy]-3-propan-2-ylurea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methoxy]-3-propan-2-ylurea?
The IUPAC name of 1-[(4-fluorophenyl)methoxy]-3-propan-2-ylurea (CID 154752561) is 1-[(4-fluorophenyl)methoxy]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(4-fluorophenyl)methoxy]-3-propan-2-ylurea?
The canonical SMILES for 1-[(4-fluorophenyl)methoxy]-3-propan-2-ylurea is CC(C)NC(=O)NOCc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methoxy]-3-propan-2-ylurea?
The InChIKey is DQGMRVYWCAHDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-8(2)13-11(15)14-16-7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-[(4-fluorophenyl)methoxy]-3-propan-2-ylurea?
1-[(4-fluorophenyl)methoxy]-3-propan-2-ylurea has a molecular weight of 226.25 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methoxy]-3-propan-2-ylurea is sourced from PubChem (CID 154752561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).