1-ethyl-3-[2-(2-fluorophenyl)ethyl]-1-methylurea

C12H17FN2O — CID 115603918

IUPAC1-ethyl-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
SMILESCCN(C)C(=O)NCCc1ccccc1F
InChIInChI=1S/C12H17FN2O/c1-3-15(2)12(16)14-9-8-10-6-4-5-7-11(10)13/h4-7H,3,8-9H2,1-2H3,(H,14,16)
InChIKeySISZWDZMHLSNNG-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.03
Rot. Bonds4

About 1-ethyl-3-[2-(2-fluorophenyl)ethyl]-1-methylurea

1-ethyl-3-[2-(2-fluorophenyl)ethyl]-1-methylurea (PubChem CID 115603918) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-fluorophenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-ethyl-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
PubChem CID115603918
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name1-ethyl-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
SMILESCCN(C)C(=O)NCCc1ccccc1F
InChIInChI=1S/C12H17FN2O/c1-3-15(2)12(16)14-9-8-10-6-4-5-7-11(10)13/h4-7H,3,8-9H2,1-2H3,(H,14,16)
InChIKeySISZWDZMHLSNNG-UHFFFAOYSA-N
XLogP2.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-phenylurea
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1-[1-(4-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
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CID 109055375
2-[tert-butyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid
CID 79263728
ethyl N-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethylcarbamoyl]carbamate
CID 108900177
1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900106
N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide
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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2-fluorophenyl)ethyl]-1-methylurea?
The IUPAC name of 1-ethyl-3-[2-(2-fluorophenyl)ethyl]-1-methylurea (CID 115603918) is 1-ethyl-3-[2-(2-fluorophenyl)ethyl]-1-methylurea.
What is the SMILES notation for 1-ethyl-3-[2-(2-fluorophenyl)ethyl]-1-methylurea?
The canonical SMILES for 1-ethyl-3-[2-(2-fluorophenyl)ethyl]-1-methylurea is CCN(C)C(=O)NCCc1ccccc1F.
What is the InChIKey of 1-ethyl-3-[2-(2-fluorophenyl)ethyl]-1-methylurea?
The InChIKey is SISZWDZMHLSNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-3-15(2)12(16)14-9-8-10-6-4-5-7-11(10)13/h4-7H,3,8-9H2,1-2H3,(H,14,16).
What are the key properties of 1-ethyl-3-[2-(2-fluorophenyl)ethyl]-1-methylurea?
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-1-methylurea has a molecular weight of 224.28 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2-fluorophenyl)ethyl]-1-methylurea is sourced from PubChem (CID 115603918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).