5-chloro-2-methoxy-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide

C21H17ClN4O3 — CID 1007382

IUPAC5-chloro-2-methoxy-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)c4cc(Cl)ccc4OC)cc3n2)cc1
InChIInChI=1S/C21H17ClN4O3/c1-28-16-7-5-15(6-8-16)26-24-18-9-4-14(12-19(18)25-26)23-21(27)17-11-13(22)3-10-20(17)29-2/h3-12H,1-2H3,(H,23,27)
InChIKeyFEWIEFDKRDMMIZ-UHFFFAOYSA-N
MW408.85 g/mol
LogP4.34
Rot. Bonds5

About 5-chloro-2-methoxy-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide

5-chloro-2-methoxy-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide (PubChem CID 1007382) has the molecular formula C21H17ClN4O3 and a molecular weight of 408.85 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide
PubChem CID1007382
Molecular FormulaC21H17ClN4O3
Molecular Weight408.85 g/mol
Exact Mass408.10
IUPAC Name5-chloro-2-methoxy-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)c4cc(Cl)ccc4OC)cc3n2)cc1
InChIInChI=1S/C21H17ClN4O3/c1-28-16-7-5-15(6-8-16)26-24-18-9-4-14(12-19(18)25-26)23-21(27)17-11-13(22)3-10-20(17)29-2/h3-12H,1-2H3,(H,23,27)
InChIKeyFEWIEFDKRDMMIZ-UHFFFAOYSA-N
XLogP4.34
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.85
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide (CID 1007382) is 5-chloro-2-methoxy-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide is COc1ccc(-n2nc3ccc(NC(=O)c4cc(Cl)ccc4OC)cc3n2)cc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide?
The InChIKey is FEWIEFDKRDMMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O3/c1-28-16-7-5-15(6-8-16)26-24-18-9-4-14(12-19(18)25-26)23-21(27)17-11-13(22)3-10-20(17)29-2/h3-12H,1-2H3,(H,23,27).
What are the key properties of 5-chloro-2-methoxy-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide?
5-chloro-2-methoxy-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide has a molecular weight of 408.85 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide is sourced from PubChem (CID 1007382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).