1-[1-(4-ethoxyphenyl)ethyl]-3-[(2-fluorophenyl)methyl]urea

C18H21FN2O2 — CID 16579741

IUPAC1-[1-(4-ethoxyphenyl)ethyl]-3-[(2-fluorophenyl)methyl]urea
SMILESCCOc1ccc(C(C)NC(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C18H21FN2O2/c1-3-23-16-10-8-14(9-11-16)13(2)21-18(22)20-12-15-6-4-5-7-17(15)19/h4-11,13H,3,12H2,1-2H3,(H2,20,21,22)
InChIKeyYZRJUWZJQXKJHQ-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.78
Rot. Bonds6

About 1-[1-(4-ethoxyphenyl)ethyl]-3-[(2-fluorophenyl)methyl]urea

1-[1-(4-ethoxyphenyl)ethyl]-3-[(2-fluorophenyl)methyl]urea (PubChem CID 16579741) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-[1-(4-ethoxyphenyl)ethyl]-3-[(2-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(4-ethoxyphenyl)ethyl]-3-[(2-fluorophenyl)methyl]urea
PubChem CID16579741
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name1-[1-(4-ethoxyphenyl)ethyl]-3-[(2-fluorophenyl)methyl]urea
SMILESCCOc1ccc(C(C)NC(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C18H21FN2O2/c1-3-23-16-10-8-14(9-11-16)13(2)21-18(22)20-12-15-6-4-5-7-17(15)19/h4-11,13H,3,12H2,1-2H3,(H2,20,21,22)
InChIKeyYZRJUWZJQXKJHQ-UHFFFAOYSA-N
XLogP3.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 17068473
1-[(2-fluorophenyl)methyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 51274243
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylacetamide
CID 880798
N'-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]oxamide
CID 2989314
1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108890683
N-ethyl-2-[(2-fluorophenyl)methylcarbamoylamino]propanamide
CID 47134375
1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-ethylphenyl)ethyl]urea
CID 108890686
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 7733439
1-[2-(4-chlorophenyl)ethyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea
CID 41105338
N-[1-(4-ethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)propanamide
CID 51292726
N-[1-(4-ethoxyphenyl)ethyl]-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 132612610
3-(N-acetyl-4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113129401

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethoxyphenyl)ethyl]-3-[(2-fluorophenyl)methyl]urea?
The IUPAC name of 1-[1-(4-ethoxyphenyl)ethyl]-3-[(2-fluorophenyl)methyl]urea (CID 16579741) is 1-[1-(4-ethoxyphenyl)ethyl]-3-[(2-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[1-(4-ethoxyphenyl)ethyl]-3-[(2-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[1-(4-ethoxyphenyl)ethyl]-3-[(2-fluorophenyl)methyl]urea is CCOc1ccc(C(C)NC(=O)NCc2ccccc2F)cc1.
What is the InChIKey of 1-[1-(4-ethoxyphenyl)ethyl]-3-[(2-fluorophenyl)methyl]urea?
The InChIKey is YZRJUWZJQXKJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-3-23-16-10-8-14(9-11-16)13(2)21-18(22)20-12-15-6-4-5-7-17(15)19/h4-11,13H,3,12H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[1-(4-ethoxyphenyl)ethyl]-3-[(2-fluorophenyl)methyl]urea?
1-[1-(4-ethoxyphenyl)ethyl]-3-[(2-fluorophenyl)methyl]urea has a molecular weight of 316.38 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethoxyphenyl)ethyl]-3-[(2-fluorophenyl)methyl]urea is sourced from PubChem (CID 16579741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).