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

C10H10ClN5O2 — CID 936538

IUPAC3-chloro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nnn(C)n2)cc1Cl
InChIInChI=1S/C10H10ClN5O2/c1-16-14-10(13-15-16)12-9(17)6-3-4-8(18-2)7(11)5-6/h3-5H,1-2H3,(H,12,14,17)
InChIKeyBWGOKQXFMZNLGJ-UHFFFAOYSA-N
MW267.68 g/mol
LogP1.12
Rot. Bonds3

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

3-chloro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide (PubChem CID 936538) has the molecular formula C10H10ClN5O2 and a molecular weight of 267.68 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide
PubChem CID936538
Molecular FormulaC10H10ClN5O2
Molecular Weight267.68 g/mol
Exact Mass267.05
IUPAC Name3-chloro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nnn(C)n2)cc1Cl
InChIInChI=1S/C10H10ClN5O2/c1-16-14-10(13-15-16)12-9(17)6-3-4-8(18-2)7(11)5-6/h3-5H,1-2H3,(H,12,14,17)
InChIKeyBWGOKQXFMZNLGJ-UHFFFAOYSA-N
XLogP1.12
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide?
The IUPAC name of 3-chloro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide (CID 936538) is 3-chloro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide?
The canonical SMILES for 3-chloro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide is COc1ccc(C(=O)Nc2nnn(C)n2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide?
The InChIKey is BWGOKQXFMZNLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O2/c1-16-14-10(13-15-16)12-9(17)6-3-4-8(18-2)7(11)5-6/h3-5H,1-2H3,(H,12,14,17).
What are the key properties of 3-chloro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide?
3-chloro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide has a molecular weight of 267.68 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-(2-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 936538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).