1-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea

C19H23FN2O2 — CID 108867649

IUPAC1-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
SMILESCCOc1ccc(C)cc1C(C)NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H23FN2O2/c1-4-24-18-10-5-13(2)11-17(18)14(3)22-19(23)21-12-15-6-8-16(20)9-7-15/h5-11,14H,4,12H2,1-3H3,(H2,21,22,23)
InChIKeyREWZUGUDFZMKOJ-UHFFFAOYSA-N
MW330.40 g/mol
LogP4.09
Rot. Bonds6

About 1-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea

1-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea (PubChem CID 108867649) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 1-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
PubChem CID108867649
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name1-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
SMILESCCOc1ccc(C)cc1C(C)NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H23FN2O2/c1-4-24-18-10-5-13(2)11-17(18)14(3)22-19(23)21-12-15-6-8-16(20)9-7-15/h5-11,14H,4,12H2,1-3H3,(H2,21,22,23)
InChIKeyREWZUGUDFZMKOJ-UHFFFAOYSA-N
XLogP4.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea with MolForge

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Related Compounds

4-[[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoylamino]methyl]benzoic acid
CID 122017293
N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-[(2-fluorophenyl)methyl]oxamide
CID 108510628
1-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-[[4-[(1S)-1-hydroxyethyl]phenyl]methyl]urea
CID 52507874
1-(1-adamantyl)-3-[1-(2-ethoxy-5-methylphenyl)ethyl]urea
CID 108895977
1-[1-(4-fluorophenoxy)propan-2-yl]-3-[(4-methylphenyl)methyl]urea
CID 60554656
[4-[1-(2-ethoxy-5-methylphenyl)ethylcarbamoylamino]phenyl] ethyl carbonate
CID 108865505
1-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-(3-methoxyphenyl)urea
CID 108869124
4-[[(1R)-1-(2-ethoxy-5-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 42219989
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 60570260
1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea
CID 51290878
1-[1-(2,5-dimethylphenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 17460810
(2R)-2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 41187411

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea (CID 108867649) is 1-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea is CCOc1ccc(C)cc1C(C)NC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 1-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea?
The InChIKey is REWZUGUDFZMKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-4-24-18-10-5-13(2)11-17(18)14(3)22-19(23)21-12-15-6-8-16(20)9-7-15/h5-11,14H,4,12H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea?
1-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 330.40 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 108867649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).