N-(2,6-dimethylphenyl)-4-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzamide

C26H25N3O2 — CID 135143780

IUPACN-(2,6-dimethylphenyl)-4-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(-c2cnn(C)c2)cc1OCc1ccccc1
InChIInChI=1S/C26H25N3O2/c1-18-8-7-9-19(2)25(18)28-26(30)23-13-12-21(22-15-27-29(3)16-22)14-24(23)31-17-20-10-5-4-6-11-20/h4-16H,17H2,1-3H3,(H,28,30)
InChIKeyZEPGXDVEVGVMRE-UHFFFAOYSA-N
MW411.51 g/mol
LogP5.54
Rot. Bonds6

About N-(2,6-dimethylphenyl)-4-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzamide

N-(2,6-dimethylphenyl)-4-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzamide (PubChem CID 135143780) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzamide
PubChem CID135143780
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC NameN-(2,6-dimethylphenyl)-4-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(-c2cnn(C)c2)cc1OCc1ccccc1
InChIInChI=1S/C26H25N3O2/c1-18-8-7-9-19(2)25(18)28-26(30)23-13-12-21(22-15-27-29(3)16-22)14-24(23)31-17-20-10-5-4-6-11-20/h4-16H,17H2,1-3H3,(H,28,30)
InChIKeyZEPGXDVEVGVMRE-UHFFFAOYSA-N
XLogP5.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone
CID 161153519
2-(4-methylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone
CID 159458448
N-(2-ethyl-6-methylphenyl)-2-phenylmethoxybenzamide
CID 4946399
2-phenylmethoxy-N,4-dipyridin-4-ylbenzamide
CID 135143390
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-methoxy-4-(1-methylpyrazol-4-yl)benzamide
CID 135143386
1-[5-methyl-4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridazin-4-ylethanone
CID 160947499
4-(dimethylcarbamoyl)-5-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzoic acid
CID 66611962
5-(1-methylpyrazol-4-yl)-4-(morpholine-4-carbonyl)-2-phenylmethoxybenzoic acid
CID 66611117
2-methoxy-4-(1-methylpyrazol-4-yl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]benzamide
CID 135144001
benzyl 4-(dimethylcarbamoyl)-5-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzoate
CID 66611924
3-(1-methylpyrazol-4-yl)-4-phenylmethoxybenzenethiol
CID 167225778
N-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methoxy]phenyl]-3-phenylpropanamide
CID 163286463

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzamide (CID 135143780) is N-(2,6-dimethylphenyl)-4-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzamide is Cc1cccc(C)c1NC(=O)c1ccc(-c2cnn(C)c2)cc1OCc1ccccc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzamide?
The InChIKey is ZEPGXDVEVGVMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-18-8-7-9-19(2)25(18)28-26(30)23-13-12-21(22-15-27-29(3)16-22)14-24(23)31-17-20-10-5-4-6-11-20/h4-16H,17H2,1-3H3,(H,28,30).
What are the key properties of N-(2,6-dimethylphenyl)-4-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzamide?
N-(2,6-dimethylphenyl)-4-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzamide has a molecular weight of 411.51 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzamide is sourced from PubChem (CID 135143780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).