2-chloro-N-(1-methyltetrazol-5-yl)benzamide

C9H8ClN5O — CID 5076145

IUPAC2-chloro-N-(1-methyltetrazol-5-yl)benzamide
SMILESCn1nnnc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C9H8ClN5O/c1-15-9(12-13-14-15)11-8(16)6-4-2-3-5-7(6)10/h2-5H,1H3,(H,11,12,14,16)
InChIKeyBCICIAKVSFEKTI-UHFFFAOYSA-N
MW237.65 g/mol
LogP1.12
Rot. Bonds2

About 2-chloro-N-(1-methyltetrazol-5-yl)benzamide

2-chloro-N-(1-methyltetrazol-5-yl)benzamide (PubChem CID 5076145) has the molecular formula C9H8ClN5O and a molecular weight of 237.65 g/mol. Its IUPAC name is 2-chloro-N-(1-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(1-methyltetrazol-5-yl)benzamide
PubChem CID5076145
Molecular FormulaC9H8ClN5O
Molecular Weight237.65 g/mol
Exact Mass237.04
IUPAC Name2-chloro-N-(1-methyltetrazol-5-yl)benzamide
SMILESCn1nnnc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C9H8ClN5O/c1-15-9(12-13-14-15)11-8(16)6-4-2-3-5-7(6)10/h2-5H,1H3,(H,11,12,14,16)
InChIKeyBCICIAKVSFEKTI-UHFFFAOYSA-N
XLogP1.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methyltetrazol-5-yl)benzamide?
The IUPAC name of 2-chloro-N-(1-methyltetrazol-5-yl)benzamide (CID 5076145) is 2-chloro-N-(1-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(1-methyltetrazol-5-yl)benzamide?
The canonical SMILES for 2-chloro-N-(1-methyltetrazol-5-yl)benzamide is Cn1nnnc1NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(1-methyltetrazol-5-yl)benzamide?
The InChIKey is BCICIAKVSFEKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5O/c1-15-9(12-13-14-15)11-8(16)6-4-2-3-5-7(6)10/h2-5H,1H3,(H,11,12,14,16).
What are the key properties of 2-chloro-N-(1-methyltetrazol-5-yl)benzamide?
2-chloro-N-(1-methyltetrazol-5-yl)benzamide has a molecular weight of 237.65 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 5076145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).