N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-(4-methylphenoxy)acetamide

C21H17ClN4O2 — CID 1341269

IUPACN-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(Cl)cc4)nc3c2)cc1
InChIInChI=1S/C21H17ClN4O2/c1-14-2-9-18(10-3-14)28-13-21(27)23-16-6-11-19-20(12-16)25-26(24-19)17-7-4-15(22)5-8-17/h2-12H,13H2,1H3,(H,23,27)
InChIKeyDWHPGTLBXWKJJA-UHFFFAOYSA-N
MW392.85 g/mol
LogP4.40
Rot. Bonds5

About N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-(4-methylphenoxy)acetamide

N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-(4-methylphenoxy)acetamide (PubChem CID 1341269) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-(4-methylphenoxy)acetamide
PubChem CID1341269
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC NameN-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(Cl)cc4)nc3c2)cc1
InChIInChI=1S/C21H17ClN4O2/c1-14-2-9-18(10-3-14)28-13-21(27)23-16-6-11-19-20(12-16)25-26(24-19)17-7-4-15(22)5-8-17/h2-12H,13H2,1H3,(H,23,27)
InChIKeyDWHPGTLBXWKJJA-UHFFFAOYSA-N
XLogP4.40
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-(4-methylphenoxy)acetamide (CID 1341269) is N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(Cl)cc4)nc3c2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-(4-methylphenoxy)acetamide?
The InChIKey is DWHPGTLBXWKJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c1-14-2-9-18(10-3-14)28-13-21(27)23-16-6-11-19-20(12-16)25-26(24-19)17-7-4-15(22)5-8-17/h2-12H,13H2,1H3,(H,23,27).
What are the key properties of N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-(4-methylphenoxy)acetamide?
N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-(4-methylphenoxy)acetamide has a molecular weight of 392.85 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 1341269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).