4-[2-[2-(2,6-dichlorophenoxy)ethyl]tetrazol-5-yl]benzamide

C16H13Cl2N5O2 — CID 8996445

IUPAC4-[2-[2-(2,6-dichlorophenoxy)ethyl]tetrazol-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2nnn(CCOc3c(Cl)cccc3Cl)n2)cc1
InChIInChI=1S/C16H13Cl2N5O2/c17-12-2-1-3-13(18)14(12)25-9-8-23-21-16(20-22-23)11-6-4-10(5-7-11)15(19)24/h1-7H,8-9H2,(H2,19,24)
InChIKeyCDYVDWWLFWCHQA-UHFFFAOYSA-N
MW378.22 g/mol
LogP2.82
Rot. Bonds6

About 4-[2-[2-(2,6-dichlorophenoxy)ethyl]tetrazol-5-yl]benzamide

4-[2-[2-(2,6-dichlorophenoxy)ethyl]tetrazol-5-yl]benzamide (PubChem CID 8996445) has the molecular formula C16H13Cl2N5O2 and a molecular weight of 378.22 g/mol. Its IUPAC name is 4-[2-[2-(2,6-dichlorophenoxy)ethyl]tetrazol-5-yl]benzamide.

Molecular Properties

Compound Name4-[2-[2-(2,6-dichlorophenoxy)ethyl]tetrazol-5-yl]benzamide
PubChem CID8996445
Molecular FormulaC16H13Cl2N5O2
Molecular Weight378.22 g/mol
Exact Mass377.04
IUPAC Name4-[2-[2-(2,6-dichlorophenoxy)ethyl]tetrazol-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2nnn(CCOc3c(Cl)cccc3Cl)n2)cc1
InChIInChI=1S/C16H13Cl2N5O2/c17-12-2-1-3-13(18)14(12)25-9-8-23-21-16(20-22-23)11-6-4-10(5-7-11)15(19)24/h1-7H,8-9H2,(H2,19,24)
InChIKeyCDYVDWWLFWCHQA-UHFFFAOYSA-N
XLogP2.82
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2,6-dichlorophenoxy)ethyl]tetrazol-5-yl]benzamide?
The IUPAC name of 4-[2-[2-(2,6-dichlorophenoxy)ethyl]tetrazol-5-yl]benzamide (CID 8996445) is 4-[2-[2-(2,6-dichlorophenoxy)ethyl]tetrazol-5-yl]benzamide.
What is the SMILES notation for 4-[2-[2-(2,6-dichlorophenoxy)ethyl]tetrazol-5-yl]benzamide?
The canonical SMILES for 4-[2-[2-(2,6-dichlorophenoxy)ethyl]tetrazol-5-yl]benzamide is NC(=O)c1ccc(-c2nnn(CCOc3c(Cl)cccc3Cl)n2)cc1.
What is the InChIKey of 4-[2-[2-(2,6-dichlorophenoxy)ethyl]tetrazol-5-yl]benzamide?
The InChIKey is CDYVDWWLFWCHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5O2/c17-12-2-1-3-13(18)14(12)25-9-8-23-21-16(20-22-23)11-6-4-10(5-7-11)15(19)24/h1-7H,8-9H2,(H2,19,24).
What are the key properties of 4-[2-[2-(2,6-dichlorophenoxy)ethyl]tetrazol-5-yl]benzamide?
4-[2-[2-(2,6-dichlorophenoxy)ethyl]tetrazol-5-yl]benzamide has a molecular weight of 378.22 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2,6-dichlorophenoxy)ethyl]tetrazol-5-yl]benzamide is sourced from PubChem (CID 8996445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).