N-[benzotriazol-1-yl(phenyl)methyl]benzamide

C20H16N4O — CID 3728808

IUPACN-[benzotriazol-1-yl(phenyl)methyl]benzamide
SMILESO=C(NC(c1ccccc1)n1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C20H16N4O/c25-20(16-11-5-2-6-12-16)21-19(15-9-3-1-4-10-15)24-18-14-8-7-13-17(18)22-23-24/h1-14,19H,(H,21,25)
InChIKeyCRQZKAOOILSOOB-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.41
Rot. Bonds4

About N-[benzotriazol-1-yl(phenyl)methyl]benzamide

N-[benzotriazol-1-yl(phenyl)methyl]benzamide (PubChem CID 3728808) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[benzotriazol-1-yl(phenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[benzotriazol-1-yl(phenyl)methyl]benzamide
PubChem CID3728808
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC NameN-[benzotriazol-1-yl(phenyl)methyl]benzamide
SMILESO=C(NC(c1ccccc1)n1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C20H16N4O/c25-20(16-11-5-2-6-12-16)21-19(15-9-3-1-4-10-15)24-18-14-8-7-13-17(18)22-23-24/h1-14,19H,(H,21,25)
InChIKeyCRQZKAOOILSOOB-UHFFFAOYSA-N
XLogP3.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[benzotriazol-1-yl(phenyl)methyl]benzamide?
The IUPAC name of N-[benzotriazol-1-yl(phenyl)methyl]benzamide (CID 3728808) is N-[benzotriazol-1-yl(phenyl)methyl]benzamide.
What is the SMILES notation for N-[benzotriazol-1-yl(phenyl)methyl]benzamide?
The canonical SMILES for N-[benzotriazol-1-yl(phenyl)methyl]benzamide is O=C(NC(c1ccccc1)n1nnc2ccccc21)c1ccccc1.
What is the InChIKey of N-[benzotriazol-1-yl(phenyl)methyl]benzamide?
The InChIKey is CRQZKAOOILSOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c25-20(16-11-5-2-6-12-16)21-19(15-9-3-1-4-10-15)24-18-14-8-7-13-17(18)22-23-24/h1-14,19H,(H,21,25).
What are the key properties of N-[benzotriazol-1-yl(phenyl)methyl]benzamide?
N-[benzotriazol-1-yl(phenyl)methyl]benzamide has a molecular weight of 328.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[benzotriazol-1-yl(phenyl)methyl]benzamide is sourced from PubChem (CID 3728808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).