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

C10H11Cl2N5O2 — CID 142608882

IUPAC2,4-dichloro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide;methane
SMILESC.Cn1nnnc1NC(=O)c1ccc(Cl)c(O)c1Cl
InChIInChI=1S/C9H7Cl2N5O2.CH4/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);1H4
InChIKeyKSKWSIROVIMITN-UHFFFAOYSA-N
MW304.14 g/mol
LogP2.11
Rot. Bonds2

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

2,4-dichloro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide;methane (PubChem CID 142608882) has the molecular formula C10H11Cl2N5O2 and a molecular weight of 304.14 g/mol. Its IUPAC name is 2,4-dichloro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide;methane.

Molecular Properties

Compound Name2,4-dichloro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide;methane
PubChem CID142608882
Molecular FormulaC10H11Cl2N5O2
Molecular Weight304.14 g/mol
Exact Mass303.03
IUPAC Name2,4-dichloro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide;methane
SMILESC.Cn1nnnc1NC(=O)c1ccc(Cl)c(O)c1Cl
InChIInChI=1S/C9H7Cl2N5O2.CH4/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);1H4
InChIKeyKSKWSIROVIMITN-UHFFFAOYSA-N
XLogP2.11
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 52.11
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;methane?
The IUPAC name of 2,4-dichloro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide;methane (CID 142608882) is 2,4-dichloro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide;methane.
What is the SMILES notation for 2,4-dichloro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide;methane?
The canonical SMILES for 2,4-dichloro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide;methane is C.Cn1nnnc1NC(=O)c1ccc(Cl)c(O)c1Cl.
What is the InChIKey of 2,4-dichloro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide;methane?
The InChIKey is KSKWSIROVIMITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N5O2.CH4/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);1H4.
What are the key properties of 2,4-dichloro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide;methane?
2,4-dichloro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide;methane has a molecular weight of 304.14 g/mol, XLogP of 2.11, 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;methane is sourced from PubChem (CID 142608882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).