N-[2-[(3-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide

C21H23FN4O2 — CID 118961973

IUPACN-[2-[(3-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide
SMILESCOc1ccc(Cn2ncc(NC(=O)Cc3ccc(C(C)C)cc3)n2)cc1F
InChIInChI=1S/C21H23FN4O2/c1-14(2)17-7-4-15(5-8-17)11-21(27)24-20-12-23-26(25-20)13-16-6-9-19(28-3)18(22)10-16/h4-10,12,14H,11,13H2,1-3H3,(H,24,25,27)
InChIKeyOBEQDNZHJBPHQS-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.78
Rot. Bonds7

About N-[2-[(3-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide

N-[2-[(3-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 118961973) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[2-[(3-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(3-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide
PubChem CID118961973
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC NameN-[2-[(3-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide
SMILESCOc1ccc(Cn2ncc(NC(=O)Cc3ccc(C(C)C)cc3)n2)cc1F
InChIInChI=1S/C21H23FN4O2/c1-14(2)17-7-4-15(5-8-17)11-21(27)24-20-12-23-26(25-20)13-16-6-9-19(28-3)18(22)10-16/h4-10,12,14H,11,13H2,1-3H3,(H,24,25,27)
InChIKeyOBEQDNZHJBPHQS-UHFFFAOYSA-N
XLogP3.78
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of N-[2-[(3-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide (CID 118961973) is N-[2-[(3-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-[2-[(3-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-[2-[(3-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide is COc1ccc(Cn2ncc(NC(=O)Cc3ccc(C(C)C)cc3)n2)cc1F.
What is the InChIKey of N-[2-[(3-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide?
The InChIKey is OBEQDNZHJBPHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-14(2)17-7-4-15(5-8-17)11-21(27)24-20-12-23-26(25-20)13-16-6-9-19(28-3)18(22)10-16/h4-10,12,14H,11,13H2,1-3H3,(H,24,25,27).
What are the key properties of N-[2-[(3-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide?
N-[2-[(3-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 382.44 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 118961973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).