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

C19H23FN2O4 — CID 55482057

IUPAC1-[2-(2-fluorophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea
SMILESCOc1cc(CNC(=O)NCCc2ccccc2F)cc(OC)c1OC
InChIInChI=1S/C19H23FN2O4/c1-24-16-10-13(11-17(25-2)18(16)26-3)12-22-19(23)21-9-8-14-6-4-5-7-15(14)20/h4-7,10-11H,8-9,12H2,1-3H3,(H2,21,22,23)
InChIKeyGTAQHYRJLPDLNJ-UHFFFAOYSA-N
MW362.40 g/mol
LogP2.89
Rot. Bonds8

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

1-[2-(2-fluorophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea (PubChem CID 55482057) has the molecular formula C19H23FN2O4 and a molecular weight of 362.40 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea
PubChem CID55482057
Molecular FormulaC19H23FN2O4
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name1-[2-(2-fluorophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea
SMILESCOc1cc(CNC(=O)NCCc2ccccc2F)cc(OC)c1OC
InChIInChI=1S/C19H23FN2O4/c1-24-16-10-13(11-17(25-2)18(16)26-3)12-22-19(23)21-9-8-14-6-4-5-7-15(14)20/h4-7,10-11H,8-9,12H2,1-3H3,(H2,21,22,23)
InChIKeyGTAQHYRJLPDLNJ-UHFFFAOYSA-N
XLogP2.89
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 38383800
2-(2-fluorophenyl)-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 113095667
1-[2-(2-fluorophenyl)ethyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111361676
N'-[(3,4-dimethoxyphenyl)methyl]-N-[2-(2-fluorophenyl)ethyl]oxamide
CID 108985181
1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 51290890
1-[2-(4-fluorophenyl)ethyl]-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217101
1-(pyridin-4-ylmethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217097
1-[[4-(dimethylamino)phenyl]methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 38949164
cis-ethyl (1S,2S)-1-[2-(2-fluorophenyl)ethylcarbamoyl]-2-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxylate
CID 71562289
1-(2,4-difluorophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 51579250
1-(3-phenylpropyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217114
3-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 109021953

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea?
The IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea (CID 55482057) is 1-[2-(2-fluorophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea?
The canonical SMILES for 1-[2-(2-fluorophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea is COc1cc(CNC(=O)NCCc2ccccc2F)cc(OC)c1OC.
What is the InChIKey of 1-[2-(2-fluorophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea?
The InChIKey is GTAQHYRJLPDLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4/c1-24-16-10-13(11-17(25-2)18(16)26-3)12-22-19(23)21-9-8-14-6-4-5-7-15(14)20/h4-7,10-11H,8-9,12H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-[2-(2-fluorophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea?
1-[2-(2-fluorophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea has a molecular weight of 362.40 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea is sourced from PubChem (CID 55482057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).