1-ethyl-3-(3-fluorophenyl)-1,3-dimethylurea

C11H15FN2O — CID 116655437

IUPAC1-ethyl-3-(3-fluorophenyl)-1,3-dimethylurea
SMILESCCN(C)C(=O)N(C)c1cccc(F)c1
InChIInChI=1S/C11H15FN2O/c1-4-13(2)11(15)14(3)10-7-5-6-9(12)8-10/h5-8H,4H2,1-3H3
InChIKeyBGHDWPBRLREXOA-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.33
Rot. Bonds2

About 1-ethyl-3-(3-fluorophenyl)-1,3-dimethylurea

1-ethyl-3-(3-fluorophenyl)-1,3-dimethylurea (PubChem CID 116655437) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-ethyl-3-(3-fluorophenyl)-1,3-dimethylurea.

Molecular Properties

Compound Name1-ethyl-3-(3-fluorophenyl)-1,3-dimethylurea
PubChem CID116655437
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name1-ethyl-3-(3-fluorophenyl)-1,3-dimethylurea
SMILESCCN(C)C(=O)N(C)c1cccc(F)c1
InChIInChI=1S/C11H15FN2O/c1-4-13(2)11(15)14(3)10-7-5-6-9(12)8-10/h5-8H,4H2,1-3H3
InChIKeyBGHDWPBRLREXOA-UHFFFAOYSA-N
XLogP2.33
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(3-fluoro-N-methylanilino)butan-2-one
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CID 113270323
1-ethyl-3-(3-fluorophenyl)-1-methylurea
CID 115603508
2-(N-ethyl-3-fluoroanilino)-2-methylpropanoic acid
CID 114999043
3-cyano-N-(3-fluorophenyl)-N-methylpropanamide
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1-ethyl-1-methyl-3,3-diphenylurea
CID 67018920
1-cyclopentyl-2-(N-ethyl-3-fluoroanilino)ethanone
CID 104750265
2-fluoro-N-(3-fluorophenyl)-6-hydroxy-N-methylbenzamide
CID 104918220
5-chloro-2-(ethylamino)-N-(3-fluorophenyl)-N-methylbenzamide
CID 62173586
3-[(3-fluorophenyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550637
N-ethyl-N-(3-fluorophenyl)-3-sulfanylpropanamide
CID 107027159

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-fluorophenyl)-1,3-dimethylurea?
The IUPAC name of 1-ethyl-3-(3-fluorophenyl)-1,3-dimethylurea (CID 116655437) is 1-ethyl-3-(3-fluorophenyl)-1,3-dimethylurea.
What is the SMILES notation for 1-ethyl-3-(3-fluorophenyl)-1,3-dimethylurea?
The canonical SMILES for 1-ethyl-3-(3-fluorophenyl)-1,3-dimethylurea is CCN(C)C(=O)N(C)c1cccc(F)c1.
What is the InChIKey of 1-ethyl-3-(3-fluorophenyl)-1,3-dimethylurea?
The InChIKey is BGHDWPBRLREXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-4-13(2)11(15)14(3)10-7-5-6-9(12)8-10/h5-8H,4H2,1-3H3.
What are the key properties of 1-ethyl-3-(3-fluorophenyl)-1,3-dimethylurea?
1-ethyl-3-(3-fluorophenyl)-1,3-dimethylurea has a molecular weight of 210.25 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-fluorophenyl)-1,3-dimethylurea is sourced from PubChem (CID 116655437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).