2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2H-triazol-4-yl)phenyl]acetamide

C23H18ClN7O — CID 171770253

IUPAC2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2H-triazol-4-yl)phenyl]acetamide
SMILESO=C(Cn1nnc2ccccc21)N(Cc1cccc(Cl)c1)c1ccc(-c2cn[nH]n2)cc1
InChIInChI=1S/C23H18ClN7O/c24-18-5-3-4-16(12-18)14-30(19-10-8-17(9-11-19)21-13-25-28-26-21)23(32)15-31-22-7-2-1-6-20(22)27-29-31/h1-13H,14-15H2,(H,25,26,28)
InChIKeyZKZVXDYEDTUJHP-UHFFFAOYSA-N
MW443.90 g/mol
LogP4.10
Rot. Bonds6

About 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2H-triazol-4-yl)phenyl]acetamide

2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2H-triazol-4-yl)phenyl]acetamide (PubChem CID 171770253) has the molecular formula C23H18ClN7O and a molecular weight of 443.90 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2H-triazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2H-triazol-4-yl)phenyl]acetamide
PubChem CID171770253
Molecular FormulaC23H18ClN7O
Molecular Weight443.90 g/mol
Exact Mass443.13
IUPAC Name2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2H-triazol-4-yl)phenyl]acetamide
SMILESO=C(Cn1nnc2ccccc21)N(Cc1cccc(Cl)c1)c1ccc(-c2cn[nH]n2)cc1
InChIInChI=1S/C23H18ClN7O/c24-18-5-3-4-16(12-18)14-30(19-10-8-17(9-11-19)21-13-25-28-26-21)23(32)15-31-22-7-2-1-6-20(22)27-29-31/h1-13H,14-15H2,(H,25,26,28)
InChIKeyZKZVXDYEDTUJHP-UHFFFAOYSA-N
XLogP4.10
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.90
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 171770305
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2-oxoimidazolidin-4-yl)phenyl]acetamide
CID 171770241
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(5-oxopyrrolidin-3-yl)phenyl]acetamide
CID 171770290
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[6-[1-(oxan-2-yl)pyrazol-4-yl]-3-pyridinyl]acetamide
CID 171770201
2-(benzotriazol-1-yl)-N-[(3-chloro-5-methoxyphenyl)methyl]-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
CID 171770306
2-(benzotriazol-1-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
CID 171770171
2-(benzotriazol-1-yl)-N-[4-(benzylamino)phenyl]-N-(thiophen-3-ylmethyl)acetamide
CID 56932136
2-[4-[[2-(benzotriazol-1-yl)acetyl]-[(3,5-difluorophenyl)methyl]amino]phenyl]acetamide
CID 171770212
2-(benzotriazol-1-yl)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 19323586
2-(benzotriazol-1-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide
CID 51189023
2-(benzotriazol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]acetamide
CID 175635820
1-(benzotriazol-1-yl)-3-[4-(3-chlorophenyl)phenoxy]propan-2-one
CID 132819853

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2H-triazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2H-triazol-4-yl)phenyl]acetamide (CID 171770253) is 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2H-triazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2H-triazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2H-triazol-4-yl)phenyl]acetamide is O=C(Cn1nnc2ccccc21)N(Cc1cccc(Cl)c1)c1ccc(-c2cn[nH]n2)cc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2H-triazol-4-yl)phenyl]acetamide?
The InChIKey is ZKZVXDYEDTUJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN7O/c24-18-5-3-4-16(12-18)14-30(19-10-8-17(9-11-19)21-13-25-28-26-21)23(32)15-31-22-7-2-1-6-20(22)27-29-31/h1-13H,14-15H2,(H,25,26,28).
What are the key properties of 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2H-triazol-4-yl)phenyl]acetamide?
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2H-triazol-4-yl)phenyl]acetamide has a molecular weight of 443.90 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2H-triazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 171770253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).