N-(2-methyl-6-propan-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide

C20H22N4O — CID 43040959

IUPACN-(2-methyl-6-propan-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C20H22N4O/c1-14(2)18-6-4-5-15(3)19(18)23-20(25)17-9-7-16(8-10-17)11-24-13-21-12-22-24/h4-10,12-14H,11H2,1-3H3,(H,23,25)
InChIKeyNIJVDWHBDYNDQT-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.01
Rot. Bonds5

About N-(2-methyl-6-propan-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide

N-(2-methyl-6-propan-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 43040959) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID43040959
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C20H22N4O/c1-14(2)18-6-4-5-15(3)19(18)23-20(25)17-9-7-16(8-10-17)11-24-13-21-12-22-24/h4-10,12-14H,11H2,1-3H3,(H,23,25)
InChIKeyNIJVDWHBDYNDQT-UHFFFAOYSA-N
XLogP4.01
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 43333467
N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24603454
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24681947
N-(1-methylpyrazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 18152748
N-(2-ethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46394811
2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide
CID 1312773
N-(3-iodo-4-methylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24590803
N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51306669
4-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 2701404
ethyl 4-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]benzoate
CID 42063924
N-(1-methoxypropan-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 18161214
6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
CID 18148418

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 43040959) is N-(2-methyl-6-propan-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide is Cc1cccc(C(C)C)c1NC(=O)c1ccc(Cn2cncn2)cc1.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is NIJVDWHBDYNDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14(2)18-6-4-5-15(3)19(18)23-20(25)17-9-7-16(8-10-17)11-24-13-21-12-22-24/h4-10,12-14H,11H2,1-3H3,(H,23,25).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-(2-methyl-6-propan-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 334.42 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 43040959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).