2-(3-fluorophenyl)-N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide

C18H17FN4O — CID 131944894

IUPAC2-(3-fluorophenyl)-N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide
SMILESCc1c(NC(=O)Cc2cccc(F)c2)cccc1-c1nncn1C
InChIInChI=1S/C18H17FN4O/c1-12-15(18-22-20-11-23(18)2)7-4-8-16(12)21-17(24)10-13-5-3-6-14(19)9-13/h3-9,11H,10H2,1-2H3,(H,21,24)
InChIKeyAEDKUZXJWAEGNE-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.11
Rot. Bonds4

About 2-(3-fluorophenyl)-N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide

2-(3-fluorophenyl)-N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide (PubChem CID 131944894) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide
PubChem CID131944894
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name2-(3-fluorophenyl)-N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide
SMILESCc1c(NC(=O)Cc2cccc(F)c2)cccc1-c1nncn1C
InChIInChI=1S/C18H17FN4O/c1-12-15(18-22-20-11-23(18)2)7-4-8-16(12)21-17(24)10-13-5-3-6-14(19)9-13/h3-9,11H,10H2,1-2H3,(H,21,24)
InChIKeyAEDKUZXJWAEGNE-UHFFFAOYSA-N
XLogP3.11
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43707229
2-(3-fluorophenyl)-N-(3-hydroxy-2-methylphenyl)acetamide
CID 64793447
cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide
CID 95245273
1-(2,3-dimethylphenyl)-3-[[2-(3-fluorophenyl)acetyl]amino]thiourea
CID 35780197
N-(5-amino-2,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide
CID 104757005
2-(3-fluorophenyl)-N-(4-methyl-3-pyridinyl)acetamide
CID 154859403
N-(2-amino-4-methylphenyl)-2-(3-fluorophenyl)acetamide
CID 43259058
N-(5-bromo-2-methylphenyl)-2-(3-fluorophenyl)acetamide
CID 43806426
2-(3-fluorophenyl)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 24525372
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(3-fluorophenyl)acetamide
CID 103274575
2-(3-fluorophenyl)-N-quinolin-8-ylacetamide
CID 17466971
2-(3-fluorophenyl)-N-(6-methoxy-2-methyl-3-pyridinyl)acetamide
CID 71919212

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide (CID 131944894) is 2-(3-fluorophenyl)-N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide is Cc1c(NC(=O)Cc2cccc(F)c2)cccc1-c1nncn1C.
What is the InChIKey of 2-(3-fluorophenyl)-N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide?
The InChIKey is AEDKUZXJWAEGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-12-15(18-22-20-11-23(18)2)7-4-8-16(12)21-17(24)10-13-5-3-6-14(19)9-13/h3-9,11H,10H2,1-2H3,(H,21,24).
What are the key properties of 2-(3-fluorophenyl)-N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide?
2-(3-fluorophenyl)-N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide has a molecular weight of 324.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 131944894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).