1-ethyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-phenylurea

C17H17FN2O — CID 108906183

IUPAC1-ethyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-phenylurea
SMILESCCN(C(=O)N/C=C/c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C17H17FN2O/c1-2-20(16-9-4-3-5-10-16)17(21)19-12-11-14-7-6-8-15(18)13-14/h3-13H,2H2,1H3,(H,19,21)/b12-11+
InChIKeyHAQJBSXYWNFMRF-VAWYXSNFSA-N
MW284.33 g/mol
LogP4.03
Rot. Bonds4

About 1-ethyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-phenylurea

1-ethyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-phenylurea (PubChem CID 108906183) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-ethyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-phenylurea.

Molecular Properties

Compound Name1-ethyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-phenylurea
PubChem CID108906183
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name1-ethyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-phenylurea
SMILESCCN(C(=O)N/C=C/c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C17H17FN2O/c1-2-20(16-9-4-3-5-10-16)17(21)19-12-11-14-7-6-8-15(18)13-14/h3-13H,2H2,1H3,(H,19,21)/b12-11+
InChIKeyHAQJBSXYWNFMRF-VAWYXSNFSA-N
XLogP4.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-3-[(E)-2-(3-methoxyphenyl)ethenyl]-1-(3-methylphenyl)urea
CID 108905972
1-[2-(diethylamino)ethyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906211
3-[(E)-2-(3-bromophenyl)ethenyl]-1-methyl-1-phenylurea
CID 108906945
1-[4-(dimethylamino)phenyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906262
ethyl N-[2-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]ethyl]carbamate
CID 108906414
1-benzyl-1-ethyl-3-[(E)-2-phenylethenyl]urea
CID 108903240
1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906142
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-[(4-methylphenyl)methyl]urea
CID 108906179
1-(3-fluorophenyl)-3-[(E)-2-phenylethenyl]urea
CID 108903344
1-(4-ethoxyphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906155
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(3-methoxypropyl)urea
CID 108906104
4-[[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]methyl]benzoic acid
CID 108906209

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-phenylurea?
The IUPAC name of 1-ethyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-phenylurea (CID 108906183) is 1-ethyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-phenylurea.
What is the SMILES notation for 1-ethyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-phenylurea?
The canonical SMILES for 1-ethyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-phenylurea is CCN(C(=O)N/C=C/c1cccc(F)c1)c1ccccc1.
What is the InChIKey of 1-ethyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-phenylurea?
The InChIKey is HAQJBSXYWNFMRF-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-2-20(16-9-4-3-5-10-16)17(21)19-12-11-14-7-6-8-15(18)13-14/h3-13H,2H2,1H3,(H,19,21)/b12-11+.
What are the key properties of 1-ethyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-phenylurea?
1-ethyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-phenylurea has a molecular weight of 284.33 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-phenylurea is sourced from PubChem (CID 108906183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).