1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(E)-2-(2-fluorophenyl)ethenyl]urea

C19H21FN2O3 — CID 108904241

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
SMILESCOc1ccc(CCNC(=O)N/C=C/c2ccccc2F)cc1OC
InChIInChI=1S/C19H21FN2O3/c1-24-17-8-7-14(13-18(17)25-2)9-11-21-19(23)22-12-10-15-5-3-4-6-16(15)20/h3-8,10,12-13H,9,11H2,1-2H3,(H2,21,22,23)/b12-10+
InChIKeyIVAFBNJAVSDMSY-ZRDIBKRKSA-N
MW344.39 g/mol
LogP3.36
Rot. Bonds7

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(E)-2-(2-fluorophenyl)ethenyl]urea

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(E)-2-(2-fluorophenyl)ethenyl]urea (PubChem CID 108904241) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(E)-2-(2-fluorophenyl)ethenyl]urea.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
PubChem CID108904241
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
SMILESCOc1ccc(CCNC(=O)N/C=C/c2ccccc2F)cc1OC
InChIInChI=1S/C19H21FN2O3/c1-24-17-8-7-14(13-18(17)25-2)9-11-21-19(23)22-12-10-15-5-3-4-6-16(15)20/h3-8,10,12-13H,9,11H2,1-2H3,(H2,21,22,23)/b12-10+
InChIKeyIVAFBNJAVSDMSY-ZRDIBKRKSA-N
XLogP3.36
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-fluorophenyl)ethyl]-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108904152
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(2-fluorophenyl)methylideneamino]oxamide
CID 2250985
1-[(E)-2-(4-bromophenyl)ethenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108908706
1-[(E)-2-cyclopropylethenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108915719
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea
CID 108891607
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)-2-methylpropanamide
CID 110298791
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157430
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethoxyphenyl)prop-2-enamide
CID 4646130
1-ethyl-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904341
1-(2,6-difluorophenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891619
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(E)-2-(2-fluorophenyl)ethenyl]urea?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(E)-2-(2-fluorophenyl)ethenyl]urea (CID 108904241) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(E)-2-(2-fluorophenyl)ethenyl]urea.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(E)-2-(2-fluorophenyl)ethenyl]urea?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(E)-2-(2-fluorophenyl)ethenyl]urea is COc1ccc(CCNC(=O)N/C=C/c2ccccc2F)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(E)-2-(2-fluorophenyl)ethenyl]urea?
The InChIKey is IVAFBNJAVSDMSY-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-24-17-8-7-14(13-18(17)25-2)9-11-21-19(23)22-12-10-15-5-3-4-6-16(15)20/h3-8,10,12-13H,9,11H2,1-2H3,(H2,21,22,23)/b12-10+.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(E)-2-(2-fluorophenyl)ethenyl]urea?
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(E)-2-(2-fluorophenyl)ethenyl]urea has a molecular weight of 344.39 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(E)-2-(2-fluorophenyl)ethenyl]urea is sourced from PubChem (CID 108904241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).