N-acetyl-N-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]acetamide

C19H18N4O2 — CID 13162125

IUPACN-acetyl-N-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]acetamide
SMILESCC(=O)N(C(C)=O)c1ccc(-n2nnc(-c3ccccc3)c2C)cc1
InChIInChI=1S/C19H18N4O2/c1-13-19(16-7-5-4-6-8-16)20-21-23(13)18-11-9-17(10-12-18)22(14(2)24)15(3)25/h4-12H,1-3H3
InChIKeyBWWRMSUBGJJKLO-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.14
Rot. Bonds3

About N-acetyl-N-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]acetamide

N-acetyl-N-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]acetamide (PubChem CID 13162125) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-acetyl-N-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]acetamide
PubChem CID13162125
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-acetyl-N-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]acetamide
SMILESCC(=O)N(C(C)=O)c1ccc(-n2nnc(-c3ccccc3)c2C)cc1
InChIInChI=1S/C19H18N4O2/c1-13-19(16-7-5-4-6-8-16)20-21-23(13)18-11-9-17(10-12-18)22(14(2)24)15(3)25/h4-12H,1-3H3
InChIKeyBWWRMSUBGJJKLO-UHFFFAOYSA-N
XLogP3.14
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-phenyl-4-(4-phenylphenyl)triazole
CID 140714399
N-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]benzamide
CID 13162137
5-methyl-4-phenyl-1-(4-propan-2-yloxyphenyl)triazole
CID 13162146
5-methyl-4-phenyl-1-(4-prop-2-enoxyphenyl)triazole
CID 13162143
3,5-diphenyltriazole-4-carboxylic acid;silver
CID 154574130
1-[1-[4-[hydroxy(oxido)amino]phenyl]-5-methyltriazol-4-yl]ethanone
CID 163168044
5-(5-methyl-1-phenyltriazol-4-yl)isoindole-1,3-dione
CID 11415460
5-(5-methyl-4-phenyltriazol-1-yl)pentan-2-one
CID 167610967
5-methyl-1-phenyltriazol-4-ol
CID 15257136
5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680
5-[1-(4-bromophenyl)-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 20937913
5-methyl-1-(4-phenoxyphenyl)triazole-4-carboxylic acid
CID 82200952

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]acetamide?
The IUPAC name of N-acetyl-N-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]acetamide (CID 13162125) is N-acetyl-N-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-acetyl-N-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-acetyl-N-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]acetamide is CC(=O)N(C(C)=O)c1ccc(-n2nnc(-c3ccccc3)c2C)cc1.
What is the InChIKey of N-acetyl-N-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]acetamide?
The InChIKey is BWWRMSUBGJJKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-19(16-7-5-4-6-8-16)20-21-23(13)18-11-9-17(10-12-18)22(14(2)24)15(3)25/h4-12H,1-3H3.
What are the key properties of N-acetyl-N-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]acetamide?
N-acetyl-N-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]acetamide has a molecular weight of 334.38 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[4-(5-methyl-4-phenyltriazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 13162125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).