1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea

C19H23FN2O2 — CID 86931400

IUPAC1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea
SMILESCOCCN(Cc1ccccc1)C(=O)NCCc1ccccc1F
InChIInChI=1S/C19H23FN2O2/c1-24-14-13-22(15-16-7-3-2-4-8-16)19(23)21-12-11-17-9-5-6-10-18(17)20/h2-10H,11-15H2,1H3,(H,21,23)
InChIKeyRAGVZKSOHAQZBR-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.23
Rot. Bonds8

About 1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea

1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea (PubChem CID 86931400) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea
PubChem CID86931400
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea
SMILESCOCCN(Cc1ccccc1)C(=O)NCCc1ccccc1F
InChIInChI=1S/C19H23FN2O2/c1-24-14-13-22(15-16-7-3-2-4-8-16)19(23)21-12-11-17-9-5-6-10-18(17)20/h2-10H,11-15H2,1H3,(H,21,23)
InChIKeyRAGVZKSOHAQZBR-UHFFFAOYSA-N
XLogP3.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-1-(2-methoxyethyl)-3-pentylurea
CID 86913997
3-[(2-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea
CID 108897546
1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-phenylurea
CID 108900086
2-[carboxymethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid
CID 63645252
2-[benzyl(2-methoxyethyl)amino]-2-oxoacetic acid
CID 127020353
3-benzyl-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea
CID 52906852
N-benzyl-N-ethyl-3-[2-(2-fluorophenyl)ethylamino]propanamide
CID 109022875
1-benzyl-1-ethyl-3-[(2-fluorophenyl)methyl]urea
CID 38945345
1-benzyl-3-(2-fluorophenyl)-1-(4-methoxybutyl)urea
CID 47072864
N-benzyl-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide
CID 78781458
1-benzyl-1-(2-methoxyethyl)-3-(2-methylsulfanylphenyl)urea
CID 86987084
3-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 109054514

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea?
The IUPAC name of 1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea (CID 86931400) is 1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea.
What is the SMILES notation for 1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea?
The canonical SMILES for 1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea is COCCN(Cc1ccccc1)C(=O)NCCc1ccccc1F.
What is the InChIKey of 1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea?
The InChIKey is RAGVZKSOHAQZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-24-14-13-22(15-16-7-3-2-4-8-16)19(23)21-12-11-17-9-5-6-10-18(17)20/h2-10H,11-15H2,1H3,(H,21,23).
What are the key properties of 1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea?
1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea has a molecular weight of 330.40 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea is sourced from PubChem (CID 86931400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).