3,4-dimethoxy-N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide

C23H21N5O4 — CID 118737178

IUPAC3,4-dimethoxy-N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide
SMILESCOc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccc(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C23H21N5O4/c1-30-17-11-9-16(10-12-17)28-26-22(25-27-28)18-6-4-5-7-19(18)24-23(29)15-8-13-20(31-2)21(14-15)32-3/h4-14H,1-3H3,(H,24,29)
InChIKeyWQDOCDOPVJZUQZ-UHFFFAOYSA-N
MW431.45 g/mol
LogP3.61
Rot. Bonds7

About 3,4-dimethoxy-N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide

3,4-dimethoxy-N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide (PubChem CID 118737178) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide
PubChem CID118737178
Molecular FormulaC23H21N5O4
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC Name3,4-dimethoxy-N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide
SMILESCOc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccc(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C23H21N5O4/c1-30-17-11-9-16(10-12-17)28-26-22(25-27-28)18-6-4-5-7-19(18)24-23(29)15-8-13-20(31-2)21(14-15)32-3/h4-14H,1-3H3,(H,24,29)
InChIKeyWQDOCDOPVJZUQZ-UHFFFAOYSA-N
XLogP3.61
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]tetrazol-5-yl]-4,5-dimethoxyphenyl]benzamide
CID 11433544
N-[2-(2-Ethyl-2H-tetrazol-5-yl)-phenyl]-3,4,5-trimethoxy-benzamide
CID 646773
2-(3,4-dimethoxyphenyl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 1301263
2-(3,4-dimethoxyphenyl)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 1311013
Cyclohexanecarboxylic acid (2-{2-[2-(4-methoxy-phenyl)-2-oxo-ethyl]-2H-tetrazol-5-yl}-phenyl)-amide
CID 1463733
N-[2-(2-Carbamoylmethyl-2H-tetrazol-5-yl)-phenyl]-4-methoxy-benzamide
CID 1463747
2-(3,4-dimethoxyphenyl)-N-{3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}acetamide
CID 2233014
N-(2-{2-[(2,3-Dihydro-benzo[1,4]dioxin-6-ylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-4-methoxy-benzamide
CID 3192791
N-(2-{2-[(2,3-Dihydro-benzo[1,4]dioxin-6-ylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-3-methyl-benzamide
CID 3192794
N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 3192796
4-methoxy-N-[2-(2H-tetrazol-5-yl)phenyl]benzamide
CID 45489602
N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]-4-nitrobenzamide
CID 118737168

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide (CID 118737178) is 3,4-dimethoxy-N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide is COc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccc(OC)c(OC)c3)n2)cc1.
What is the InChIKey of 3,4-dimethoxy-N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide?
The InChIKey is WQDOCDOPVJZUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4/c1-30-17-11-9-16(10-12-17)28-26-22(25-27-28)18-6-4-5-7-19(18)24-23(29)15-8-13-20(31-2)21(14-15)32-3/h4-14H,1-3H3,(H,24,29).
What are the key properties of 3,4-dimethoxy-N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide?
3,4-dimethoxy-N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide has a molecular weight of 431.45 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 118737178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).