N-[(2,5-dimethoxyphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

C19H20N4O3 — CID 33106422

IUPACN-[(2,5-dimethoxyphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCOc1ccc(OC)c(CNC(=O)c2ccc(Cn3cncn3)cc2)c1
InChIInChI=1S/C19H20N4O3/c1-25-17-7-8-18(26-2)16(9-17)10-21-19(24)15-5-3-14(4-6-15)11-23-13-20-12-22-23/h3-9,12-13H,10-11H2,1-2H3,(H,21,24)
InChIKeyPAMKDWLDBIYSFH-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.27
Rot. Bonds7

About N-[(2,5-dimethoxyphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

N-[(2,5-dimethoxyphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 33106422) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID33106422
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCOc1ccc(OC)c(CNC(=O)c2ccc(Cn3cncn3)cc2)c1
InChIInChI=1S/C19H20N4O3/c1-25-17-7-8-18(26-2)16(9-17)10-21-19(24)15-5-3-14(4-6-15)11-23-13-20-12-22-23/h3-9,12-13H,10-11H2,1-2H3,(H,21,24)
InChIKeyPAMKDWLDBIYSFH-UHFFFAOYSA-N
XLogP2.27
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,5-dimethoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 78860159
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 47017921
5-chloro-2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 18126602
6-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide
CID 167953925
4-chloro-2-methoxy-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide
CID 30760557
N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51490228
4-[(S)-methylsulfinyl]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 94588492
N-[(2,5-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 33101662
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate
CID 18141819
N-(1-methylcyclobutyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 92583010
1-[(2,5-dimethoxyphenyl)methyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 55747504

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 33106422) is N-[(2,5-dimethoxyphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is COc1ccc(OC)c(CNC(=O)c2ccc(Cn3cncn3)cc2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is PAMKDWLDBIYSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-25-17-7-8-18(26-2)16(9-17)10-21-19(24)15-5-3-14(4-6-15)11-23-13-20-12-22-23/h3-9,12-13H,10-11H2,1-2H3,(H,21,24).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-[(2,5-dimethoxyphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 352.39 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 33106422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).