1-(4-ethoxyphenyl)-3-[2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]urea

C20H22FN5O2 — CID 46354927

IUPAC1-(4-ethoxyphenyl)-3-[2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]urea
SMILESCCOc1ccc(NC(=O)NCCc2n[nH]c(Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H22FN5O2/c1-2-28-17-9-7-16(8-10-17)23-20(27)22-12-11-18-24-19(26-25-18)13-14-3-5-15(21)6-4-14/h3-10H,2,11-13H2,1H3,(H2,22,23,27)(H,24,25,26)
InChIKeyJQWSUGKUBDWPCR-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.30
Rot. Bonds8

About 1-(4-ethoxyphenyl)-3-[2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]urea

1-(4-ethoxyphenyl)-3-[2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]urea (PubChem CID 46354927) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]urea
PubChem CID46354927
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name1-(4-ethoxyphenyl)-3-[2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]urea
SMILESCCOc1ccc(NC(=O)NCCc2n[nH]c(Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H22FN5O2/c1-2-28-17-9-7-16(8-10-17)23-20(27)22-12-11-18-24-19(26-25-18)13-14-3-5-15(21)6-4-14/h3-10H,2,11-13H2,1H3,(H2,22,23,27)(H,24,25,26)
InChIKeyJQWSUGKUBDWPCR-UHFFFAOYSA-N
XLogP3.30
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(4-ethoxyphenyl)-3-[2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]urea with MolForge

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Related Compounds

1-[2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-3-phenylurea
CID 46354901
4-ethoxy-N-[2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide
CID 53090380
1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea
CID 112970481
ethyl 4-[2-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate
CID 3740892
1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3856338
N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021260
N-(4-ethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 2289388
N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 18160151
N-[2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzenesulfonamide
CID 53090390
1-(4-ethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 25040507
N-(4-ethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109192445
N'-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2202978

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]urea (CID 46354927) is 1-(4-ethoxyphenyl)-3-[2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]urea is CCOc1ccc(NC(=O)NCCc2n[nH]c(Cc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]urea?
The InChIKey is JQWSUGKUBDWPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-2-28-17-9-7-16(8-10-17)23-20(27)22-12-11-18-24-19(26-25-18)13-14-3-5-15(21)6-4-14/h3-10H,2,11-13H2,1H3,(H2,22,23,27)(H,24,25,26).
What are the key properties of 1-(4-ethoxyphenyl)-3-[2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]urea?
1-(4-ethoxyphenyl)-3-[2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]urea has a molecular weight of 383.43 g/mol, XLogP of 3.30, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]urea is sourced from PubChem (CID 46354927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).