2-(benzotriazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-(4-pyridin-3-ylphenyl)acetamide

C26H19Cl2N5O — CID 166626248

IUPAC2-(benzotriazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-(4-pyridin-3-ylphenyl)acetamide
SMILESO=C(Cn1nnc2ccccc21)N(Cc1ccc(Cl)c(Cl)c1)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C26H19Cl2N5O/c27-22-12-7-18(14-23(22)28)16-32(21-10-8-19(9-11-21)20-4-3-13-29-15-20)26(34)17-33-25-6-2-1-5-24(25)30-31-33/h1-15H,16-17H2
InChIKeyRCUYHONFJVGBGG-UHFFFAOYSA-N
MW488.38 g/mol
LogP6.03
Rot. Bonds6

About 2-(benzotriazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-(4-pyridin-3-ylphenyl)acetamide

2-(benzotriazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-(4-pyridin-3-ylphenyl)acetamide (PubChem CID 166626248) has the molecular formula C26H19Cl2N5O and a molecular weight of 488.38 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-(4-pyridin-3-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-(4-pyridin-3-ylphenyl)acetamide
PubChem CID166626248
Molecular FormulaC26H19Cl2N5O
Molecular Weight488.38 g/mol
Exact Mass487.10
IUPAC Name2-(benzotriazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-(4-pyridin-3-ylphenyl)acetamide
SMILESO=C(Cn1nnc2ccccc21)N(Cc1ccc(Cl)c(Cl)c1)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C26H19Cl2N5O/c27-22-12-7-18(14-23(22)28)16-32(21-10-8-19(9-11-21)20-4-3-13-29-15-20)26(34)17-33-25-6-2-1-5-24(25)30-31-33/h1-15H,16-17H2
InChIKeyRCUYHONFJVGBGG-UHFFFAOYSA-N
XLogP6.03
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.38
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ML300-based SC inhibitor 24
CID 156027221
ML300-based SC inhibitor 25
CID 156027222
ML300-based SC inhibitor 28
CID 156027225
ML300-based SC inhibitor 31
CID 156027227
ML300-based SC inhibitor 32
CID 156027228
ML300-based SC inhibitor 33
CID 156027229
ML300-based SC inhibitor 34
CID 156027230
ML300-based SC inhibitor 22
CID 156027219
ML300-based SC inhibitor 23
CID 156027220
ML300-based SC inhibitor 29
CID 156027226
1-[[5-(4-Chloro-2-fluorophenyl)-2-pyridinyl]methyl]benzotriazole
CID 155519836
1-[[6-(4-Chlorophenyl)-3-pyridinyl]methyl]benzotriazole
CID 155546950

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-(4-pyridin-3-ylphenyl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-(4-pyridin-3-ylphenyl)acetamide (CID 166626248) is 2-(benzotriazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-(4-pyridin-3-ylphenyl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-(4-pyridin-3-ylphenyl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-(4-pyridin-3-ylphenyl)acetamide is O=C(Cn1nnc2ccccc21)N(Cc1ccc(Cl)c(Cl)c1)c1ccc(-c2cccnc2)cc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-(4-pyridin-3-ylphenyl)acetamide?
The InChIKey is RCUYHONFJVGBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl2N5O/c27-22-12-7-18(14-23(22)28)16-32(21-10-8-19(9-11-21)20-4-3-13-29-15-20)26(34)17-33-25-6-2-1-5-24(25)30-31-33/h1-15H,16-17H2.
What are the key properties of 2-(benzotriazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-(4-pyridin-3-ylphenyl)acetamide?
2-(benzotriazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-(4-pyridin-3-ylphenyl)acetamide has a molecular weight of 488.38 g/mol, XLogP of 6.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-(4-pyridin-3-ylphenyl)acetamide is sourced from PubChem (CID 166626248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).