N-(2,5-dimethylphenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)benzamide

C19H20N4O — CID 91643530

IUPACN-(2,5-dimethylphenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)benzamide
SMILESCc1ccc(C)c(NC(=O)c2ccc(-n3nc(C)nc3C)cc2)c1
InChIInChI=1S/C19H20N4O/c1-12-5-6-13(2)18(11-12)21-19(24)16-7-9-17(10-8-16)23-15(4)20-14(3)22-23/h5-11H,1-4H3,(H,21,24)
InChIKeyXMWMRXQNPKQJOW-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.75
Rot. Bonds3

About N-(2,5-dimethylphenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)benzamide

N-(2,5-dimethylphenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)benzamide (PubChem CID 91643530) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)benzamide
PubChem CID91643530
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-(2,5-dimethylphenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)benzamide
SMILESCc1ccc(C)c(NC(=O)c2ccc(-n3nc(C)nc3C)cc2)c1
InChIInChI=1S/C19H20N4O/c1-12-5-6-13(2)18(11-12)21-19(24)16-7-9-17(10-8-16)23-15(4)20-14(3)22-23/h5-11H,1-4H3,(H,21,24)
InChIKeyXMWMRXQNPKQJOW-UHFFFAOYSA-N
XLogP3.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 1-[4-[(2,5-dimethylphenyl)carbamoyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
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6-amino-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
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4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide
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N-(5-bromo-2-methylphenyl)-4-methylbenzamide
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N-(2,5-dimethylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
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N-(2,5-dimethylphenyl)-4-pentoxybenzamide
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CID 109049620

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)benzamide (CID 91643530) is N-(2,5-dimethylphenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)benzamide is Cc1ccc(C)c(NC(=O)c2ccc(-n3nc(C)nc3C)cc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)benzamide?
The InChIKey is XMWMRXQNPKQJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-12-5-6-13(2)18(11-12)21-19(24)16-7-9-17(10-8-16)23-15(4)20-14(3)22-23/h5-11H,1-4H3,(H,21,24).
What are the key properties of N-(2,5-dimethylphenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)benzamide?
N-(2,5-dimethylphenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)benzamide has a molecular weight of 320.40 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 91643530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).