N-(2,6-dimethylphenyl)-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzamide

C20H21N5O2 — CID 50965855

IUPACN-(2,6-dimethylphenyl)-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccccc1NC(=O)C(C)n1cncn1
InChIInChI=1S/C20H21N5O2/c1-13-7-6-8-14(2)18(13)24-20(27)16-9-4-5-10-17(16)23-19(26)15(3)25-12-21-11-22-25/h4-12,15H,1-3H3,(H,23,26)(H,24,27)
InChIKeyRYWLIQWVFJFIGE-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.35
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzamide

N-(2,6-dimethylphenyl)-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzamide (PubChem CID 50965855) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzamide
PubChem CID50965855
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-(2,6-dimethylphenyl)-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccccc1NC(=O)C(C)n1cncn1
InChIInChI=1S/C20H21N5O2/c1-13-7-6-8-14(2)18(13)24-20(27)16-9-4-5-10-17(16)23-19(26)15(3)25-12-21-11-22-25/h4-12,15H,1-3H3,(H,23,26)(H,24,27)
InChIKeyRYWLIQWVFJFIGE-UHFFFAOYSA-N
XLogP3.35
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950969
(2S)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 96532804
(2R)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 96532803
5-hydroxy-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 61405860
2,3-dichloro-N-[4-[[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]amino]phenyl]benzamide
CID 32597299
N-(2-phenyl-3-pyridinyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 154833965
(2R)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 32592112
2-(difluoromethoxy)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 43064673
N-[2-(2,4-difluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 86784056
N-methyl-2-(2-pyrazol-1-ylpropanoylamino)benzamide
CID 43055255
N-(2,6-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 47156281
N-(1H-indazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 62686023

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzamide (CID 50965855) is N-(2,6-dimethylphenyl)-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzamide is Cc1cccc(C)c1NC(=O)c1ccccc1NC(=O)C(C)n1cncn1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzamide?
The InChIKey is RYWLIQWVFJFIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13-7-6-8-14(2)18(13)24-20(27)16-9-4-5-10-17(16)23-19(26)15(3)25-12-21-11-22-25/h4-12,15H,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-(2,6-dimethylphenyl)-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzamide?
N-(2,6-dimethylphenyl)-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzamide has a molecular weight of 363.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzamide is sourced from PubChem (CID 50965855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).