2,4-dichloro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide

C9H7Cl2N5O2 — CID 139434014

IUPAC2,4-dichloro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide
SMILESCn1nnnc1NC(=O)c1ccc(Cl)c(O)c1Cl
InChIInChI=1S/C9H7Cl2N5O2/c1-16-9(13-14-15-16)12-8(18)4-2-3-5(10)7(17)6(4)11/h2-3,17H,1H3,(H,12,13,15,18)
InChIKeyUXHDHCKBUYTJEA-UHFFFAOYSA-N
MW288.09 g/mol
LogP1.47
Rot. Bonds2

About 2,4-dichloro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide

2,4-dichloro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide (PubChem CID 139434014) has the molecular formula C9H7Cl2N5O2 and a molecular weight of 288.09 g/mol. Its IUPAC name is 2,4-dichloro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide
PubChem CID139434014
Molecular FormulaC9H7Cl2N5O2
Molecular Weight288.09 g/mol
Exact Mass287.00
IUPAC Name2,4-dichloro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide
SMILESCn1nnnc1NC(=O)c1ccc(Cl)c(O)c1Cl
InChIInChI=1S/C9H7Cl2N5O2/c1-16-9(13-14-15-16)12-8(18)4-2-3-5(10)7(17)6(4)11/h2-3,17H,1H3,(H,12,13,15,18)
InChIKeyUXHDHCKBUYTJEA-UHFFFAOYSA-N
XLogP1.47
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide?
The IUPAC name of 2,4-dichloro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide (CID 139434014) is 2,4-dichloro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide?
The canonical SMILES for 2,4-dichloro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide is Cn1nnnc1NC(=O)c1ccc(Cl)c(O)c1Cl.
What is the InChIKey of 2,4-dichloro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide?
The InChIKey is UXHDHCKBUYTJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N5O2/c1-16-9(13-14-15-16)12-8(18)4-2-3-5(10)7(17)6(4)11/h2-3,17H,1H3,(H,12,13,15,18).
What are the key properties of 2,4-dichloro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide?
2,4-dichloro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide has a molecular weight of 288.09 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 139434014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).