5-methoxy-2-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide;hydrochloride

C24H23ClN4O3 — CID 171667402

IUPAC5-methoxy-2-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide;hydrochloride
SMILESCOc1ccc(-c2ccc(OC)cc2C(=O)Nc2ccc(Cn3cncn3)cc2)cc1.Cl
InChIInChI=1S/C24H22N4O3.ClH/c1-30-20-9-5-18(6-10-20)22-12-11-21(31-2)13-23(22)24(29)27-19-7-3-17(4-8-19)14-28-16-25-15-26-28;/h3-13,15-16H,14H2,1-2H3,(H,27,29);1H
InChIKeyGHZBPCSBZRQWBS-UHFFFAOYSA-N
MW450.93 g/mol
LogP4.68
Rot. Bonds7

About 5-methoxy-2-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide;hydrochloride

5-methoxy-2-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide;hydrochloride (PubChem CID 171667402) has the molecular formula C24H23ClN4O3 and a molecular weight of 450.93 g/mol. Its IUPAC name is 5-methoxy-2-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name5-methoxy-2-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide;hydrochloride
PubChem CID171667402
Molecular FormulaC24H23ClN4O3
Molecular Weight450.93 g/mol
Exact Mass450.15
IUPAC Name5-methoxy-2-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide;hydrochloride
SMILESCOc1ccc(-c2ccc(OC)cc2C(=O)Nc2ccc(Cn3cncn3)cc2)cc1.Cl
InChIInChI=1S/C24H22N4O3.ClH/c1-30-20-9-5-18(6-10-20)22-12-11-21(31-2)13-23(22)24(29)27-19-7-3-17(4-8-19)14-28-16-25-15-26-28;/h3-13,15-16H,14H2,1-2H3,(H,27,29);1H
InChIKeyGHZBPCSBZRQWBS-UHFFFAOYSA-N
XLogP4.68
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-1-propan-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-3-carboxamide
CID 71701709
2-(2,5-dimethoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 78860159
3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 31959825
3-(4-methoxyphenyl)sulfanyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 31959778
3-(4-methylphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 38497755
5,6-dimethoxy-1-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]indole-2-carboxamide
CID 71829408
N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24603454
2-(3,4-dichlorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 86929677
N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51306669
(3S,4S)-3-(4-methoxyphenyl)-2-methyl-1-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-3,4-dihydroisoquinoline-4-carboxamide
CID 51971247
N-[(2,5-dimethoxyphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 33106422
ethyl 4-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]benzoate
CID 42063924

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide;hydrochloride?
The IUPAC name of 5-methoxy-2-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide;hydrochloride (CID 171667402) is 5-methoxy-2-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide;hydrochloride.
What is the SMILES notation for 5-methoxy-2-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide;hydrochloride?
The canonical SMILES for 5-methoxy-2-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide;hydrochloride is COc1ccc(-c2ccc(OC)cc2C(=O)Nc2ccc(Cn3cncn3)cc2)cc1.Cl.
What is the InChIKey of 5-methoxy-2-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide;hydrochloride?
The InChIKey is GHZBPCSBZRQWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3.ClH/c1-30-20-9-5-18(6-10-20)22-12-11-21(31-2)13-23(22)24(29)27-19-7-3-17(4-8-19)14-28-16-25-15-26-28;/h3-13,15-16H,14H2,1-2H3,(H,27,29);1H.
What are the key properties of 5-methoxy-2-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide;hydrochloride?
5-methoxy-2-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide;hydrochloride has a molecular weight of 450.93 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide;hydrochloride is sourced from PubChem (CID 171667402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).