3,5-dimethoxy-4-phenylmethoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide

C24H22N4O4 — CID 37121031

IUPAC3,5-dimethoxy-4-phenylmethoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(-n3cncn3)cc2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C24H22N4O4/c1-30-21-12-18(13-22(31-2)23(21)32-14-17-6-4-3-5-7-17)24(29)27-19-8-10-20(11-9-19)28-16-25-15-26-28/h3-13,15-16H,14H2,1-2H3,(H,27,29)
InChIKeyWIKPQARKVVGGLA-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.12
Rot. Bonds8

About 3,5-dimethoxy-4-phenylmethoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide

3,5-dimethoxy-4-phenylmethoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide (PubChem CID 37121031) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 3,5-dimethoxy-4-phenylmethoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-4-phenylmethoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
PubChem CID37121031
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name3,5-dimethoxy-4-phenylmethoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(-n3cncn3)cc2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C24H22N4O4/c1-30-21-12-18(13-22(31-2)23(21)32-14-17-6-4-3-5-7-17)24(29)27-19-8-10-20(11-9-19)28-16-25-15-26-28/h3-13,15-16H,14H2,1-2H3,(H,27,29)
InChIKeyWIKPQARKVVGGLA-UHFFFAOYSA-N
XLogP4.12
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55761729
3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779676
N-(4-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9243640
N-(4-bromophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 16567430
3,5-dichloro-4-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 37121357
N-(3-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9243538
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 27446104
2-(phenoxymethyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55566637
3,4,5-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 17012125
N-[3-benzyl-4-(difluoromethoxy)phenyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 24533546
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
5-chloro-4-iodo-2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55608636

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-4-phenylmethoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The IUPAC name of 3,5-dimethoxy-4-phenylmethoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide (CID 37121031) is 3,5-dimethoxy-4-phenylmethoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-4-phenylmethoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-4-phenylmethoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide is COc1cc(C(=O)Nc2ccc(-n3cncn3)cc2)cc(OC)c1OCc1ccccc1.
What is the InChIKey of 3,5-dimethoxy-4-phenylmethoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The InChIKey is WIKPQARKVVGGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-30-21-12-18(13-22(31-2)23(21)32-14-17-6-4-3-5-7-17)24(29)27-19-8-10-20(11-9-19)28-16-25-15-26-28/h3-13,15-16H,14H2,1-2H3,(H,27,29).
What are the key properties of 3,5-dimethoxy-4-phenylmethoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
3,5-dimethoxy-4-phenylmethoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide has a molecular weight of 430.46 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-4-phenylmethoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 37121031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).