2-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide

C19H18ClFN4O2 — CID 43832908

IUPAC2-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(Cc1n[nH]c(COc2ccc(Cl)cc2)n1)NCCc1ccc(F)cc1
InChIInChI=1S/C19H18ClFN4O2/c20-14-3-7-16(8-4-14)27-12-18-23-17(24-25-18)11-19(26)22-10-9-13-1-5-15(21)6-2-13/h1-8H,9-12H2,(H,22,26)(H,23,24,25)
InChIKeyPJECEDFNANEPLA-UHFFFAOYSA-N
MW388.83 g/mol
LogP3.08
Rot. Bonds8

About 2-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide

2-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 43832908) has the molecular formula C19H18ClFN4O2 and a molecular weight of 388.83 g/mol. Its IUPAC name is 2-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID43832908
Molecular FormulaC19H18ClFN4O2
Molecular Weight388.83 g/mol
Exact Mass388.11
IUPAC Name2-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(Cc1n[nH]c(COc2ccc(Cl)cc2)n1)NCCc1ccc(F)cc1
InChIInChI=1S/C19H18ClFN4O2/c20-14-3-7-16(8-4-14)27-12-18-23-17(24-25-18)11-19(26)22-10-9-13-1-5-15(21)6-2-13/h1-8H,9-12H2,(H,22,26)(H,23,24,25)
InChIKeyPJECEDFNANEPLA-UHFFFAOYSA-N
XLogP3.08
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.83
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-N-[3-(dimethylamino)propyl]acetamide
CID 43832906
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 26516329
2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylethyl)acetamide
CID 29316962
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 18083569
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
2-(2-bromo-4-chlorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7975078
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(3,5-difluorophenyl)acetamide
CID 53168947
(4-chlorophenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate
CID 23366848
2-[4-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255572
2-(4-fluorophenoxy)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 110790579
1-[(4-chlorophenoxy)methyl]-3-[2-(4-chlorophenyl)ethyl]urea
CID 108885405

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 43832908) is 2-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide is O=C(Cc1n[nH]c(COc2ccc(Cl)cc2)n1)NCCc1ccc(F)cc1.
What is the InChIKey of 2-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is PJECEDFNANEPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O2/c20-14-3-7-16(8-4-14)27-12-18-23-17(24-25-18)11-19(26)22-10-9-13-1-5-15(21)6-2-13/h1-8H,9-12H2,(H,22,26)(H,23,24,25).
What are the key properties of 2-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 388.83 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 43832908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).