N-(2-propan-2-ylphenyl)-4-(1,2,4-triazol-1-yl)benzamide

C18H18N4O — CID 51192150

IUPACN-(2-propan-2-ylphenyl)-4-(1,2,4-triazol-1-yl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H18N4O/c1-13(2)16-5-3-4-6-17(16)21-18(23)14-7-9-15(10-8-14)22-12-19-11-20-22/h3-13H,1-2H3,(H,21,23)
InChIKeyMBGYSBUWJXSBAL-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.64
Rot. Bonds4

About N-(2-propan-2-ylphenyl)-4-(1,2,4-triazol-1-yl)benzamide

N-(2-propan-2-ylphenyl)-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 51192150) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(2-propan-2-ylphenyl)-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-propan-2-ylphenyl)-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID51192150
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-(2-propan-2-ylphenyl)-4-(1,2,4-triazol-1-yl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H18N4O/c1-13(2)16-5-3-4-6-17(16)21-18(23)14-7-9-15(10-8-14)22-12-19-11-20-22/h3-13H,1-2H3,(H,21,23)
InChIKeyMBGYSBUWJXSBAL-UHFFFAOYSA-N
XLogP3.64
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]benzamide
CID 86835460
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109043167
N-(2-propan-2-ylphenyl)benzamide
CID 723391
4-(3,5-dimethylpyrazol-1-yl)-N-(2-propan-2-ylphenyl)benzamide
CID 9110177
4-(methylamino)-N-(2-propan-2-ylphenyl)benzamide
CID 62185459
N-(2,4-dimethoxyphenyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 18104017
N-(4-bromo-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 78803403
N-(2-methyl-5-nitrophenyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 51192107
4-N-(2-propan-2-ylphenyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 109042975
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1,2,4-triazol-1-yl)benzamide
CID 18128698
N-[2-(diethylamino)-2-phenylethyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 18167141
4-(methanesulfonamido)-N-(2-propan-2-ylphenyl)benzamide
CID 51179900

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylphenyl)-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-(2-propan-2-ylphenyl)-4-(1,2,4-triazol-1-yl)benzamide (CID 51192150) is N-(2-propan-2-ylphenyl)-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-(2-propan-2-ylphenyl)-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-(2-propan-2-ylphenyl)-4-(1,2,4-triazol-1-yl)benzamide is CC(C)c1ccccc1NC(=O)c1ccc(-n2cncn2)cc1.
What is the InChIKey of N-(2-propan-2-ylphenyl)-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is MBGYSBUWJXSBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13(2)16-5-3-4-6-17(16)21-18(23)14-7-9-15(10-8-14)22-12-19-11-20-22/h3-13H,1-2H3,(H,21,23).
What are the key properties of N-(2-propan-2-ylphenyl)-4-(1,2,4-triazol-1-yl)benzamide?
N-(2-propan-2-ylphenyl)-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 306.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylphenyl)-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 51192150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).