3-(3-ethoxyphenyl)-1-[1-(2-fluorophenyl)ethyl]-1-methylurea

C18H21FN2O2 — CID 87010594

IUPAC3-(3-ethoxyphenyl)-1-[1-(2-fluorophenyl)ethyl]-1-methylurea
SMILESCCOc1cccc(NC(=O)N(C)C(C)c2ccccc2F)c1
InChIInChI=1S/C18H21FN2O2/c1-4-23-15-9-7-8-14(12-15)20-18(22)21(3)13(2)16-10-5-6-11-17(16)19/h5-13H,4H2,1-3H3,(H,20,22)
InChIKeyROFKRZWPJKZTAH-UHFFFAOYSA-N
MW316.38 g/mol
LogP4.45
Rot. Bonds5

About 3-(3-ethoxyphenyl)-1-[1-(2-fluorophenyl)ethyl]-1-methylurea

3-(3-ethoxyphenyl)-1-[1-(2-fluorophenyl)ethyl]-1-methylurea (PubChem CID 87010594) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-1-[1-(2-fluorophenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-1-[1-(2-fluorophenyl)ethyl]-1-methylurea
PubChem CID87010594
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name3-(3-ethoxyphenyl)-1-[1-(2-fluorophenyl)ethyl]-1-methylurea
SMILESCCOc1cccc(NC(=O)N(C)C(C)c2ccccc2F)c1
InChIInChI=1S/C18H21FN2O2/c1-4-23-15-9-7-8-14(12-15)20-18(22)21(3)13(2)16-10-5-6-11-17(16)19/h5-13H,4H2,1-3H3,(H,20,22)
InChIKeyROFKRZWPJKZTAH-UHFFFAOYSA-N
XLogP4.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3-ethoxyphenyl)-1-[1-(2-fluorophenyl)ethyl]-1-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-3-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]benzamide
CID 87009194
3-[3-(difluoromethoxy)phenyl]-1-[(1R)-1-(2-methoxyphenyl)ethyl]-1-methylurea
CID 51952913
N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-phenoxyacetamide
CID 86925373
3-(3-ethoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431448
N-[3-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]-4-methoxyphenyl]acetamide
CID 55817029
1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea
CID 87009755
3-[3-[(4-chlorophenyl)methoxy]phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea
CID 110010428
N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 60939648
N-(3-ethoxyphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53288278
1-(3-ethoxyphenoxy)-1-(2-fluorophenyl)propan-2-amine
CID 62337853
1-(3-ethoxyphenyl)-3-methylurea
CID 115584262
N-(3-ethoxyphenyl)-2-(2-propan-2-ylanilino)acetamide
CID 54823260

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-1-[1-(2-fluorophenyl)ethyl]-1-methylurea?
The IUPAC name of 3-(3-ethoxyphenyl)-1-[1-(2-fluorophenyl)ethyl]-1-methylurea (CID 87010594) is 3-(3-ethoxyphenyl)-1-[1-(2-fluorophenyl)ethyl]-1-methylurea.
What is the SMILES notation for 3-(3-ethoxyphenyl)-1-[1-(2-fluorophenyl)ethyl]-1-methylurea?
The canonical SMILES for 3-(3-ethoxyphenyl)-1-[1-(2-fluorophenyl)ethyl]-1-methylurea is CCOc1cccc(NC(=O)N(C)C(C)c2ccccc2F)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-1-[1-(2-fluorophenyl)ethyl]-1-methylurea?
The InChIKey is ROFKRZWPJKZTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-4-23-15-9-7-8-14(12-15)20-18(22)21(3)13(2)16-10-5-6-11-17(16)19/h5-13H,4H2,1-3H3,(H,20,22).
What are the key properties of 3-(3-ethoxyphenyl)-1-[1-(2-fluorophenyl)ethyl]-1-methylurea?
3-(3-ethoxyphenyl)-1-[1-(2-fluorophenyl)ethyl]-1-methylurea has a molecular weight of 316.38 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-1-[1-(2-fluorophenyl)ethyl]-1-methylurea is sourced from PubChem (CID 87010594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).