4-(benzotriazol-1-ylmethyl)-N-[(3-methoxyphenyl)methyl]benzamide

C22H20N4O2 — CID 9088195

IUPAC4-(benzotriazol-1-ylmethyl)-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(Cn3nnc4ccccc43)cc2)c1
InChIInChI=1S/C22H20N4O2/c1-28-19-6-4-5-17(13-19)14-23-22(27)18-11-9-16(10-12-18)15-26-21-8-3-2-7-20(21)24-25-26/h2-13H,14-15H2,1H3,(H,23,27)
InChIKeyCKZKWHHLYKLCPW-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.42
Rot. Bonds6

About 4-(benzotriazol-1-ylmethyl)-N-[(3-methoxyphenyl)methyl]benzamide

4-(benzotriazol-1-ylmethyl)-N-[(3-methoxyphenyl)methyl]benzamide (PubChem CID 9088195) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-(benzotriazol-1-ylmethyl)-N-[(3-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(benzotriazol-1-ylmethyl)-N-[(3-methoxyphenyl)methyl]benzamide
PubChem CID9088195
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name4-(benzotriazol-1-ylmethyl)-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(Cn3nnc4ccccc43)cc2)c1
InChIInChI=1S/C22H20N4O2/c1-28-19-6-4-5-17(13-19)14-23-22(27)18-11-9-16(10-12-18)15-26-21-8-3-2-7-20(21)24-25-26/h2-13H,14-15H2,1H3,(H,23,27)
InChIKeyCKZKWHHLYKLCPW-UHFFFAOYSA-N
XLogP3.42
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxyphenyl)methyl]-4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]benzamide
CID 22588506
1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53085114
1-[(3-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)benzotriazole-5-carboxamide
CID 53199623
[4-[[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium
CID 8948581
1-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111176
N-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111468
4-(benzotriazol-1-ylmethyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzamide
CID 46456905
1-[(4-methoxyphenyl)methyl]-N-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53085070
4-(benzotriazol-1-ylmethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 46464969
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
4-(benzotriazol-1-ylmethyl)-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 9088736
1-ethyl-N-[(3-phenoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 39021866

Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-1-ylmethyl)-N-[(3-methoxyphenyl)methyl]benzamide?
The IUPAC name of 4-(benzotriazol-1-ylmethyl)-N-[(3-methoxyphenyl)methyl]benzamide (CID 9088195) is 4-(benzotriazol-1-ylmethyl)-N-[(3-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-(benzotriazol-1-ylmethyl)-N-[(3-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-(benzotriazol-1-ylmethyl)-N-[(3-methoxyphenyl)methyl]benzamide is COc1cccc(CNC(=O)c2ccc(Cn3nnc4ccccc43)cc2)c1.
What is the InChIKey of 4-(benzotriazol-1-ylmethyl)-N-[(3-methoxyphenyl)methyl]benzamide?
The InChIKey is CKZKWHHLYKLCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-28-19-6-4-5-17(13-19)14-23-22(27)18-11-9-16(10-12-18)15-26-21-8-3-2-7-20(21)24-25-26/h2-13H,14-15H2,1H3,(H,23,27).
What are the key properties of 4-(benzotriazol-1-ylmethyl)-N-[(3-methoxyphenyl)methyl]benzamide?
4-(benzotriazol-1-ylmethyl)-N-[(3-methoxyphenyl)methyl]benzamide has a molecular weight of 372.43 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazol-1-ylmethyl)-N-[(3-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 9088195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).