1-[2-(4-fluorophenyl)ethyl]-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea

C20H25FN2O4 — CID 113217101

IUPAC1-[2-(4-fluorophenyl)ethyl]-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
SMILESCOc1cc(CCNC(=O)NCCc2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C20H25FN2O4/c1-25-17-12-15(13-18(26-2)19(17)27-3)9-11-23-20(24)22-10-8-14-4-6-16(21)7-5-14/h4-7,12-13H,8-11H2,1-3H3,(H2,22,23,24)
InChIKeyVLWPNJFHFDPHBN-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.94
Rot. Bonds9

About 1-[2-(4-fluorophenyl)ethyl]-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea

1-[2-(4-fluorophenyl)ethyl]-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea (PubChem CID 113217101) has the molecular formula C20H25FN2O4 and a molecular weight of 376.43 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
PubChem CID113217101
Molecular FormulaC20H25FN2O4
Molecular Weight376.43 g/mol
Exact Mass376.18
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
SMILESCOc1cc(CCNC(=O)NCCc2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C20H25FN2O4/c1-25-17-12-15(13-18(26-2)19(17)27-3)9-11-23-20(24)22-10-8-14-4-6-16(21)7-5-14/h4-7,12-13H,8-11H2,1-3H3,(H2,22,23,24)
InChIKeyVLWPNJFHFDPHBN-UHFFFAOYSA-N
XLogP2.94
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-phenylpropyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217114
1-[2-(4-fluorophenyl)ethyl]-3-(methoxymethyl)urea
CID 110675926
2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7336900
1-(pyridin-4-ylmethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217097
N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamoyl bromide
CID 115193996
5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31069458
1-[2-(2-fluorophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 55482057
1-(furan-2-ylmethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217080
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(3-methoxy-4-methylphenyl)ethyl]urea
CID 111458129
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944
2-(2-fluorophenyl)-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 113095667
N-[2-(4-fluorophenyl)ethyl]-4,5,6-trimethoxy-1H-indole-3-carboxamide
CID 113206746

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea (CID 113217101) is 1-[2-(4-fluorophenyl)ethyl]-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea is COc1cc(CCNC(=O)NCCc2ccc(F)cc2)cc(OC)c1OC.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea?
The InChIKey is VLWPNJFHFDPHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4/c1-25-17-12-15(13-18(26-2)19(17)27-3)9-11-23-20(24)22-10-8-14-4-6-16(21)7-5-14/h4-7,12-13H,8-11H2,1-3H3,(H2,22,23,24).
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea?
1-[2-(4-fluorophenyl)ethyl]-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea has a molecular weight of 376.43 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea is sourced from PubChem (CID 113217101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).