1-[(4-fluorophenyl)methyl]-3-(1-methoxypropan-2-yl)urea

C12H17FN2O2 — CID 42935389

IUPAC1-[(4-fluorophenyl)methyl]-3-(1-methoxypropan-2-yl)urea
SMILESCOCC(C)NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O2/c1-9(8-17-2)15-12(16)14-7-10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3,(H2,14,15,16)
InChIKeyFULKSLQLLUXTKF-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.66
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-3-(1-methoxypropan-2-yl)urea

1-[(4-fluorophenyl)methyl]-3-(1-methoxypropan-2-yl)urea (PubChem CID 42935389) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-(1-methoxypropan-2-yl)urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-(1-methoxypropan-2-yl)urea
PubChem CID42935389
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name1-[(4-fluorophenyl)methyl]-3-(1-methoxypropan-2-yl)urea
SMILESCOCC(C)NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O2/c1-9(8-17-2)15-12(16)14-7-10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3,(H2,14,15,16)
InChIKeyFULKSLQLLUXTKF-UHFFFAOYSA-N
XLogP1.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(1-methoxypropan-2-yl)urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(1-methoxypropan-2-yl)urea (CID 42935389) is 1-[(4-fluorophenyl)methyl]-3-(1-methoxypropan-2-yl)urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-(1-methoxypropan-2-yl)urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-(1-methoxypropan-2-yl)urea is COCC(C)NC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-(1-methoxypropan-2-yl)urea?
The InChIKey is FULKSLQLLUXTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-9(8-17-2)15-12(16)14-7-10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-(1-methoxypropan-2-yl)urea?
1-[(4-fluorophenyl)methyl]-3-(1-methoxypropan-2-yl)urea has a molecular weight of 240.28 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-(1-methoxypropan-2-yl)urea is sourced from PubChem (CID 42935389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).