N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-phenoxyacetamide

C21H17ClN4O2 — CID 7831963

IUPACN-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-phenoxyacetamide
SMILESCc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4)cc3n2)cc1Cl
InChIInChI=1S/C21H17ClN4O2/c1-14-7-9-16(12-18(14)22)26-24-19-10-8-15(11-20(19)25-26)23-21(27)13-28-17-5-3-2-4-6-17/h2-12H,13H2,1H3,(H,23,27)
InChIKeyHFWDKYAEZQCTDJ-UHFFFAOYSA-N
MW392.85 g/mol
LogP4.40
Rot. Bonds5

About N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-phenoxyacetamide

N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-phenoxyacetamide (PubChem CID 7831963) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-phenoxyacetamide
PubChem CID7831963
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC NameN-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-phenoxyacetamide
SMILESCc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4)cc3n2)cc1Cl
InChIInChI=1S/C21H17ClN4O2/c1-14-7-9-16(12-18(14)22)26-24-19-10-8-15(11-20(19)25-26)23-21(27)13-28-17-5-3-2-4-6-17/h2-12H,13H2,1H3,(H,23,27)
InChIKeyHFWDKYAEZQCTDJ-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-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-phenoxyacetamide (CID 7831963) is N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-phenoxyacetamide is Cc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4)cc3n2)cc1Cl.
What is the InChIKey of N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-phenoxyacetamide?
The InChIKey is HFWDKYAEZQCTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c1-14-7-9-16(12-18(14)22)26-24-19-10-8-15(11-20(19)25-26)23-21(27)13-28-17-5-3-2-4-6-17/h2-12H,13H2,1H3,(H,23,27).
What are the key properties of N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-phenoxyacetamide?
N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-phenoxyacetamide 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-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-phenoxyacetamide is sourced from PubChem (CID 7831963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).