N-benzyl-N-(4-methoxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide

C24H22N4O2 — CID 134012327

IUPACN-benzyl-N-(4-methoxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCOc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Cn3cncn3)cc2)cc1
InChIInChI=1S/C24H22N4O2/c1-30-23-13-11-22(12-14-23)28(16-19-5-3-2-4-6-19)24(29)21-9-7-20(8-10-21)15-27-18-25-17-26-27/h2-14,17-18H,15-16H2,1H3
InChIKeyHOIWFBOUJPIGIH-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.18
Rot. Bonds7

About N-benzyl-N-(4-methoxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide

N-benzyl-N-(4-methoxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 134012327) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-benzyl-N-(4-methoxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-N-(4-methoxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID134012327
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-benzyl-N-(4-methoxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCOc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Cn3cncn3)cc2)cc1
InChIInChI=1S/C24H22N4O2/c1-30-23-13-11-22(12-14-23)28(16-19-5-3-2-4-6-19)24(29)21-9-7-20(8-10-21)15-27-18-25-17-26-27/h2-14,17-18H,15-16H2,1H3
InChIKeyHOIWFBOUJPIGIH-UHFFFAOYSA-N
XLogP4.18
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 3724237
1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 10144171
N,1-dibenzyl-N-(4-methoxyphenyl)triazole-4-carboxamide
CID 55512888
N-benzyl-N-(4-methoxyphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 55757071
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 30944934
N-(4-methoxyphenyl)-4-(morpholin-4-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 46957652
N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-4-methylbenzamide
CID 46045788
N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 55668766
N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51490228
N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 92987108
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 18145614
N-[(2,5-dimethoxyphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 33106422

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-methoxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-benzyl-N-(4-methoxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 134012327) is N-benzyl-N-(4-methoxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-benzyl-N-(4-methoxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-benzyl-N-(4-methoxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide is COc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Cn3cncn3)cc2)cc1.
What is the InChIKey of N-benzyl-N-(4-methoxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is HOIWFBOUJPIGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-30-23-13-11-22(12-14-23)28(16-19-5-3-2-4-6-19)24(29)21-9-7-20(8-10-21)15-27-18-25-17-26-27/h2-14,17-18H,15-16H2,1H3.
What are the key properties of N-benzyl-N-(4-methoxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-benzyl-N-(4-methoxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 398.47 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-methoxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 134012327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).