1-[2-(3-chlorophenyl)ethyl]-3-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]urea

C21H19ClFN3O2 — CID 52642916

IUPAC1-[2-(3-chlorophenyl)ethyl]-3-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]urea
SMILESO=C(NCCc1cccc(Cl)c1)NCc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C21H19ClFN3O2/c22-17-3-1-2-15(12-17)10-11-24-21(27)26-14-16-4-9-20(25-13-16)28-19-7-5-18(23)6-8-19/h1-9,12-13H,10-11,14H2,(H2,24,26,27)
InChIKeyXYFDQILXRPTYKM-UHFFFAOYSA-N
MW399.85 g/mol
LogP4.71
Rot. Bonds7

About 1-[2-(3-chlorophenyl)ethyl]-3-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]urea

1-[2-(3-chlorophenyl)ethyl]-3-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]urea (PubChem CID 52642916) has the molecular formula C21H19ClFN3O2 and a molecular weight of 399.85 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethyl]-3-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)ethyl]-3-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]urea
PubChem CID52642916
Molecular FormulaC21H19ClFN3O2
Molecular Weight399.85 g/mol
Exact Mass399.11
IUPAC Name1-[2-(3-chlorophenyl)ethyl]-3-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]urea
SMILESO=C(NCCc1cccc(Cl)c1)NCc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C21H19ClFN3O2/c22-17-3-1-2-15(12-17)10-11-24-21(27)26-14-16-4-9-20(25-13-16)28-19-7-5-18(23)6-8-19/h1-9,12-13H,10-11,14H2,(H2,24,26,27)
InChIKeyXYFDQILXRPTYKM-UHFFFAOYSA-N
XLogP4.71
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.85
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3-chlorophenyl)ethyl]-3-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]urea with MolForge

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-N'-[(4-fluorophenyl)methyl]oxamide
CID 108984928
4-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 87020258
1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(2-thiophen-2-ylethyl)urea
CID 60610907
1-[2-(2-cyano-3-fluoroanilino)ethyl]-3-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]urea
CID 55796598
6-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68746071
1-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine
CID 111878003
1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975823
1-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108867745
1-[2-(3-chlorophenyl)ethyl]-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine
CID 111357844
1-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111171350
2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide
CID 55913182
1-[2-(4-fluorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]urea
CID 108898570

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]urea (CID 52642916) is 1-[2-(3-chlorophenyl)ethyl]-3-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-[2-(3-chlorophenyl)ethyl]-3-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-[2-(3-chlorophenyl)ethyl]-3-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]urea is O=C(NCCc1cccc(Cl)c1)NCc1ccc(Oc2ccc(F)cc2)nc1.
What is the InChIKey of 1-[2-(3-chlorophenyl)ethyl]-3-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]urea?
The InChIKey is XYFDQILXRPTYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O2/c22-17-3-1-2-15(12-17)10-11-24-21(27)26-14-16-4-9-20(25-13-16)28-19-7-5-18(23)6-8-19/h1-9,12-13H,10-11,14H2,(H2,24,26,27).
What are the key properties of 1-[2-(3-chlorophenyl)ethyl]-3-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]urea?
1-[2-(3-chlorophenyl)ethyl]-3-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]urea has a molecular weight of 399.85 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)ethyl]-3-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 52642916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).