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

C17H19FN2O3 — CID 51290602

IUPAC1-(3,4-dimethoxyphenyl)-3-[2-(3-fluorophenyl)ethyl]urea
SMILESCOc1ccc(NC(=O)NCCc2cccc(F)c2)cc1OC
InChIInChI=1S/C17H19FN2O3/c1-22-15-7-6-14(11-16(15)23-2)20-17(21)19-9-8-12-4-3-5-13(18)10-12/h3-7,10-11H,8-9H2,1-2H3,(H2,19,20,21)
InChIKeyCZKAPBNXOSQYGF-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.21
Rot. Bonds6

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

1-(3,4-dimethoxyphenyl)-3-[2-(3-fluorophenyl)ethyl]urea (PubChem CID 51290602) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-[2-(3-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-[2-(3-fluorophenyl)ethyl]urea
PubChem CID51290602
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name1-(3,4-dimethoxyphenyl)-3-[2-(3-fluorophenyl)ethyl]urea
SMILESCOc1ccc(NC(=O)NCCc2cccc(F)c2)cc1OC
InChIInChI=1S/C17H19FN2O3/c1-22-15-7-6-14(11-16(15)23-2)20-17(21)19-9-8-12-4-3-5-13(18)10-12/h3-7,10-11H,8-9H2,1-2H3,(H2,19,20,21)
InChIKeyCZKAPBNXOSQYGF-UHFFFAOYSA-N
XLogP3.21
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide
CID 51290594
1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 32523814
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy-3-methylphenyl)urea
CID 60544439
4-[2-(3-fluorophenyl)ethylcarbamoylamino]benzoic acid
CID 108901120
2-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111089401
(Z)-2-cyano-N-(3,4-dimethoxyphenyl)-3-[2-(3-fluorophenyl)ethylamino]prop-2-enamide
CID 108815287
3-ethoxy-N-[2-(3-fluorophenyl)ethyl]-4-methoxybenzamide
CID 18118772
1-(3-fluoro-4-methylsulfinylphenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 71865565
5-fluoro-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31116362
1-[4-(difluoromethoxy)phenyl]-3-[2-(3-fluorophenyl)ethyl]urea
CID 11573369
3-(3,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 86986919
1-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 883790

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[2-(3-fluorophenyl)ethyl]urea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[2-(3-fluorophenyl)ethyl]urea (CID 51290602) is 1-(3,4-dimethoxyphenyl)-3-[2-(3-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-[2-(3-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-[2-(3-fluorophenyl)ethyl]urea is COc1ccc(NC(=O)NCCc2cccc(F)c2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-[2-(3-fluorophenyl)ethyl]urea?
The InChIKey is CZKAPBNXOSQYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-22-15-7-6-14(11-16(15)23-2)20-17(21)19-9-8-12-4-3-5-13(18)10-12/h3-7,10-11H,8-9H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-[2-(3-fluorophenyl)ethyl]urea?
1-(3,4-dimethoxyphenyl)-3-[2-(3-fluorophenyl)ethyl]urea has a molecular weight of 318.35 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-[2-(3-fluorophenyl)ethyl]urea is sourced from PubChem (CID 51290602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).