1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-(2-pyridin-4-ylethyl)urea

C18H22FN3O — CID 108902141

IUPAC1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-(2-pyridin-4-ylethyl)urea
SMILESCCN(CCc1ccncc1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C18H22FN3O/c1-2-22(14-10-16-7-11-20-12-8-16)18(23)21-13-9-15-3-5-17(19)6-4-15/h3-8,11-12H,2,9-10,13-14H2,1H3,(H,21,23)
InChIKeyKAGJVPPXDXENBI-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.04
Rot. Bonds7

About 1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-(2-pyridin-4-ylethyl)urea

1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-(2-pyridin-4-ylethyl)urea (PubChem CID 108902141) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-(2-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-(2-pyridin-4-ylethyl)urea
PubChem CID108902141
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-(2-pyridin-4-ylethyl)urea
SMILESCCN(CCc1ccncc1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C18H22FN3O/c1-2-22(14-10-16-7-11-20-12-8-16)18(23)21-13-9-15-3-5-17(19)6-4-15/h3-8,11-12H,2,9-10,13-14H2,1H3,(H,21,23)
InChIKeyKAGJVPPXDXENBI-UHFFFAOYSA-N
XLogP3.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyanomethyl)-1-ethyl-1-(2-pyridin-4-ylethyl)urea
CID 108864796
N'-ethyl-N-(4-fluorophenyl)-N'-(2-pyridin-4-ylethyl)oxamide
CID 108512603
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-methylurea
CID 115603517
3-[ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62854086
N',N'-diethyl-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 108526117
1-ethyl-3-(2-fluorophenyl)-1-(2-pyridin-4-ylethyl)urea
CID 108866844
N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108526067
N-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]acetamide
CID 55457102
4-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110757168
3-(4-bromophenyl)-1-ethyl-1-(2-pyridin-4-ylethyl)urea
CID 108869272
N-[2-(4-fluorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
CID 109172598
1,1-dibenzyl-3-[2-(4-fluorophenyl)ethyl]urea
CID 108902120

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-(2-pyridin-4-ylethyl)urea?
The IUPAC name of 1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-(2-pyridin-4-ylethyl)urea (CID 108902141) is 1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-(2-pyridin-4-ylethyl)urea.
What is the SMILES notation for 1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-(2-pyridin-4-ylethyl)urea?
The canonical SMILES for 1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-(2-pyridin-4-ylethyl)urea is CCN(CCc1ccncc1)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-(2-pyridin-4-ylethyl)urea?
The InChIKey is KAGJVPPXDXENBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-2-22(14-10-16-7-11-20-12-8-16)18(23)21-13-9-15-3-5-17(19)6-4-15/h3-8,11-12H,2,9-10,13-14H2,1H3,(H,21,23).
What are the key properties of 1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-(2-pyridin-4-ylethyl)urea?
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-(2-pyridin-4-ylethyl)urea has a molecular weight of 315.39 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-(2-pyridin-4-ylethyl)urea is sourced from PubChem (CID 108902141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).