3-methoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide

C22H18N4O2 — CID 3288452

IUPAC3-methoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-n3nncc3-c3ccccc3)cc2)c1
InChIInChI=1S/C22H18N4O2/c1-28-20-9-5-8-17(14-20)22(27)24-18-10-12-19(13-11-18)26-21(15-23-25-26)16-6-3-2-4-7-16/h2-15H,1H3,(H,24,27)
InChIKeyOSAAVUUMAHFBOB-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.20
Rot. Bonds5

About 3-methoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide

3-methoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide (PubChem CID 3288452) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-methoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
PubChem CID3288452
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name3-methoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-n3nncc3-c3ccccc3)cc2)c1
InChIInChI=1S/C22H18N4O2/c1-28-20-9-5-8-17(14-20)22(27)24-18-10-12-19(13-11-18)26-21(15-23-25-26)16-6-3-2-4-7-16/h2-15H,1H3,(H,24,27)
InChIKeyOSAAVUUMAHFBOB-UHFFFAOYSA-N
XLogP4.20
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[4-(5-tert-butyltriazol-1-yl)phenyl]-3-methoxybenzamide
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N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-2-carboxamide
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N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-3-methoxybenzamide
CID 53379044
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CID 3244504
N-{4-[5-(3,4-dimethoxyphenyl)-1H-1,2,3-triazol-1-yl]phenyl}-4-methoxybenzamide
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4-(dimethylsulfamoyl)-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide?
The IUPAC name of 3-methoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide (CID 3288452) is 3-methoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide is COc1cccc(C(=O)Nc2ccc(-n3nncc3-c3ccccc3)cc2)c1.
What is the InChIKey of 3-methoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide?
The InChIKey is OSAAVUUMAHFBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-28-20-9-5-8-17(14-20)22(27)24-18-10-12-19(13-11-18)26-21(15-23-25-26)16-6-3-2-4-7-16/h2-15H,1H3,(H,24,27).
What are the key properties of 3-methoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide?
3-methoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide has a molecular weight of 370.41 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 3288452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).