1-(4-ethenyl-2-fluorophenyl)-3,3-dimethyl-1-(1-oxopropan-2-yl)urea

C14H17FN2O2 — CID 131995919

IUPAC1-(4-ethenyl-2-fluorophenyl)-3,3-dimethyl-1-(1-oxopropan-2-yl)urea
SMILESC=Cc1ccc(N(C(=O)N(C)C)C(C)C=O)c(F)c1
InChIInChI=1S/C14H17FN2O2/c1-5-11-6-7-13(12(15)8-11)17(10(2)9-18)14(19)16(3)4/h5-10H,1H2,2-4H3
InChIKeyYXOTVMDOFGKJOS-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.54
Rot. Bonds4

About 1-(4-ethenyl-2-fluorophenyl)-3,3-dimethyl-1-(1-oxopropan-2-yl)urea

1-(4-ethenyl-2-fluorophenyl)-3,3-dimethyl-1-(1-oxopropan-2-yl)urea (PubChem CID 131995919) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-(4-ethenyl-2-fluorophenyl)-3,3-dimethyl-1-(1-oxopropan-2-yl)urea.

Molecular Properties

Compound Name1-(4-ethenyl-2-fluorophenyl)-3,3-dimethyl-1-(1-oxopropan-2-yl)urea
PubChem CID131995919
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name1-(4-ethenyl-2-fluorophenyl)-3,3-dimethyl-1-(1-oxopropan-2-yl)urea
SMILESC=Cc1ccc(N(C(=O)N(C)C)C(C)C=O)c(F)c1
InChIInChI=1S/C14H17FN2O2/c1-5-11-6-7-13(12(15)8-11)17(10(2)9-18)14(19)16(3)4/h5-10H,1H2,2-4H3
InChIKeyYXOTVMDOFGKJOS-UHFFFAOYSA-N
XLogP2.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenyl-2-fluorophenyl)-3,3-dimethyl-1-(1-oxopropan-2-yl)urea?
The IUPAC name of 1-(4-ethenyl-2-fluorophenyl)-3,3-dimethyl-1-(1-oxopropan-2-yl)urea (CID 131995919) is 1-(4-ethenyl-2-fluorophenyl)-3,3-dimethyl-1-(1-oxopropan-2-yl)urea.
What is the SMILES notation for 1-(4-ethenyl-2-fluorophenyl)-3,3-dimethyl-1-(1-oxopropan-2-yl)urea?
The canonical SMILES for 1-(4-ethenyl-2-fluorophenyl)-3,3-dimethyl-1-(1-oxopropan-2-yl)urea is C=Cc1ccc(N(C(=O)N(C)C)C(C)C=O)c(F)c1.
What is the InChIKey of 1-(4-ethenyl-2-fluorophenyl)-3,3-dimethyl-1-(1-oxopropan-2-yl)urea?
The InChIKey is YXOTVMDOFGKJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-5-11-6-7-13(12(15)8-11)17(10(2)9-18)14(19)16(3)4/h5-10H,1H2,2-4H3.
What are the key properties of 1-(4-ethenyl-2-fluorophenyl)-3,3-dimethyl-1-(1-oxopropan-2-yl)urea?
1-(4-ethenyl-2-fluorophenyl)-3,3-dimethyl-1-(1-oxopropan-2-yl)urea has a molecular weight of 264.30 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenyl-2-fluorophenyl)-3,3-dimethyl-1-(1-oxopropan-2-yl)urea is sourced from PubChem (CID 131995919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).