3,5-dichloro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide

C10H9Cl2N5O2 — CID 932392

IUPAC3,5-dichloro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2nnn(C)n2)cc1Cl
InChIInChI=1S/C10H9Cl2N5O2/c1-17-15-10(14-16-17)13-9(18)5-3-6(11)8(19-2)7(12)4-5/h3-4H,1-2H3,(H,13,15,18)
InChIKeyCYAFGQQWXFLSRJ-UHFFFAOYSA-N
MW302.12 g/mol
LogP1.78
Rot. Bonds3

About 3,5-dichloro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide

3,5-dichloro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide (PubChem CID 932392) has the molecular formula C10H9Cl2N5O2 and a molecular weight of 302.12 g/mol. Its IUPAC name is 3,5-dichloro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide
PubChem CID932392
Molecular FormulaC10H9Cl2N5O2
Molecular Weight302.12 g/mol
Exact Mass301.01
IUPAC Name3,5-dichloro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2nnn(C)n2)cc1Cl
InChIInChI=1S/C10H9Cl2N5O2/c1-17-15-10(14-16-17)13-9(18)5-3-6(11)8(19-2)7(12)4-5/h3-4H,1-2H3,(H,13,15,18)
InChIKeyCYAFGQQWXFLSRJ-UHFFFAOYSA-N
XLogP1.78
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide?
The IUPAC name of 3,5-dichloro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide (CID 932392) is 3,5-dichloro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for 3,5-dichloro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide?
The canonical SMILES for 3,5-dichloro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide is COc1c(Cl)cc(C(=O)Nc2nnn(C)n2)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide?
The InChIKey is CYAFGQQWXFLSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N5O2/c1-17-15-10(14-16-17)13-9(18)5-3-6(11)8(19-2)7(12)4-5/h3-4H,1-2H3,(H,13,15,18).
What are the key properties of 3,5-dichloro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide?
3,5-dichloro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide has a molecular weight of 302.12 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 932392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).