1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea

C18H19FN2O — CID 108906142

IUPAC1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
SMILESCCc1cccc(C)c1NC(=O)N/C=C/c1cccc(F)c1
InChIInChI=1S/C18H19FN2O/c1-3-15-8-4-6-13(2)17(15)21-18(22)20-11-10-14-7-5-9-16(19)12-14/h4-12H,3H2,1-2H3,(H2,20,21,22)/b11-10+
InChIKeyWDCSSAKAUJCSDM-ZHACJKMWSA-N
MW298.36 g/mol
LogP4.49
Rot. Bonds4

About 1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea

1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea (PubChem CID 108906142) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
PubChem CID108906142
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
SMILESCCc1cccc(C)c1NC(=O)N/C=C/c1cccc(F)c1
InChIInChI=1S/C18H19FN2O/c1-3-15-8-4-6-13(2)17(15)21-18(22)20-11-10-14-7-5-9-16(19)12-14/h4-12H,3H2,1-2H3,(H2,20,21,22)/b11-10+
InChIKeyWDCSSAKAUJCSDM-ZHACJKMWSA-N
XLogP4.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 108991584
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(3-hydroxyphenyl)urea
CID 108906051
ethyl 4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]benzoate
CID 108906070
1-(4-ethoxyphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906155
1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108903908
2-[4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]phenyl]acetic acid
CID 108906208
ethyl N-[2-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]ethyl]carbamate
CID 108906414
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906343
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-[(4-methylphenyl)methyl]urea
CID 108906179
N'-(2-ethyl-6-methylphenyl)-N-(3-fluorophenyl)propanediamide
CID 108954227
1-(4-bromophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906048
1-[2-(diethylamino)ethyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906211

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea?
The IUPAC name of 1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea (CID 108906142) is 1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea.
What is the SMILES notation for 1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea?
The canonical SMILES for 1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea is CCc1cccc(C)c1NC(=O)N/C=C/c1cccc(F)c1.
What is the InChIKey of 1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea?
The InChIKey is WDCSSAKAUJCSDM-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-3-15-8-4-6-13(2)17(15)21-18(22)20-11-10-14-7-5-9-16(19)12-14/h4-12H,3H2,1-2H3,(H2,20,21,22)/b11-10+.
What are the key properties of 1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea?
1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea has a molecular weight of 298.36 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea is sourced from PubChem (CID 108906142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).