2-(2-chloro-6-fluorophenyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide

C18H16ClFN4O2 — CID 71702594

IUPAC2-(2-chloro-6-fluorophenyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
SMILESCOc1ccc(Cc2nc(NC(=O)Cc3c(F)cccc3Cl)n[nH]2)cc1
InChIInChI=1S/C18H16ClFN4O2/c1-26-12-7-5-11(6-8-12)9-16-21-18(24-23-16)22-17(25)10-13-14(19)3-2-4-15(13)20/h2-8H,9-10H2,1H3,(H2,21,22,23,24,25)
InChIKeyGLLWIUJXXKGWPA-UHFFFAOYSA-N
MW374.80 g/mol
LogP3.38
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 71702594) has the molecular formula C18H16ClFN4O2 and a molecular weight of 374.80 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID71702594
Molecular FormulaC18H16ClFN4O2
Molecular Weight374.80 g/mol
Exact Mass374.09
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
SMILESCOc1ccc(Cc2nc(NC(=O)Cc3c(F)cccc3Cl)n[nH]2)cc1
InChIInChI=1S/C18H16ClFN4O2/c1-26-12-7-5-11(6-8-12)9-16-21-18(24-23-16)22-17(25)10-13-14(19)3-2-4-15(13)20/h2-8H,9-10H2,1H3,(H2,21,22,23,24,25)
InChIKeyGLLWIUJXXKGWPA-UHFFFAOYSA-N
XLogP3.38
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 9246817
2-(2-chloro-6-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7769079
2-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 71709801
2-(2-chloro-6-fluorophenyl)-N-(2,5-dimethoxyphenyl)acetamide
CID 839117
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 2490465
2-(2-chloro-6-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2085098
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 39853189
2-(2-chloro-6-fluorophenyl)-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 35332134
3-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 46997417
2-(4-methoxyphenyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91822345
2-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)acetamide
CID 2112014
N-(4-methoxyphenyl)-2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 53168785

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide (CID 71702594) is 2-(2-chloro-6-fluorophenyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide is COc1ccc(Cc2nc(NC(=O)Cc3c(F)cccc3Cl)n[nH]2)cc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is GLLWIUJXXKGWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4O2/c1-26-12-7-5-11(6-8-12)9-16-21-18(24-23-16)22-17(25)10-13-14(19)3-2-4-15(13)20/h2-8H,9-10H2,1H3,(H2,21,22,23,24,25).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 374.80 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 71702594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).