2,4-dichloro-6-fluoro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide

C9H6Cl2FN5O2 — CID 137367929

IUPAC2,4-dichloro-6-fluoro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide
SMILESCn1nnnc1NC(=O)c1c(F)cc(Cl)c(O)c1Cl
InChIInChI=1S/C9H6Cl2FN5O2/c1-17-9(14-15-16-17)13-8(19)5-4(12)2-3(10)7(18)6(5)11/h2,18H,1H3,(H,13,14,16,19)
InChIKeySBJXAZGKJXNHET-UHFFFAOYSA-N
MW306.08 g/mol
LogP1.61
Rot. Bonds2

About 2,4-dichloro-6-fluoro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide

2,4-dichloro-6-fluoro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide (PubChem CID 137367929) has the molecular formula C9H6Cl2FN5O2 and a molecular weight of 306.08 g/mol. Its IUPAC name is 2,4-dichloro-6-fluoro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-6-fluoro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide
PubChem CID137367929
Molecular FormulaC9H6Cl2FN5O2
Molecular Weight306.08 g/mol
Exact Mass304.99
IUPAC Name2,4-dichloro-6-fluoro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide
SMILESCn1nnnc1NC(=O)c1c(F)cc(Cl)c(O)c1Cl
InChIInChI=1S/C9H6Cl2FN5O2/c1-17-9(14-15-16-17)13-8(19)5-4(12)2-3(10)7(18)6(5)11/h2,18H,1H3,(H,13,14,16,19)
InChIKeySBJXAZGKJXNHET-UHFFFAOYSA-N
XLogP1.61
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.08
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-fluoro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide?
The IUPAC name of 2,4-dichloro-6-fluoro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide (CID 137367929) is 2,4-dichloro-6-fluoro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-6-fluoro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide?
The canonical SMILES for 2,4-dichloro-6-fluoro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide is Cn1nnnc1NC(=O)c1c(F)cc(Cl)c(O)c1Cl.
What is the InChIKey of 2,4-dichloro-6-fluoro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide?
The InChIKey is SBJXAZGKJXNHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2FN5O2/c1-17-9(14-15-16-17)13-8(19)5-4(12)2-3(10)7(18)6(5)11/h2,18H,1H3,(H,13,14,16,19).
What are the key properties of 2,4-dichloro-6-fluoro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide?
2,4-dichloro-6-fluoro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide has a molecular weight of 306.08 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-fluoro-3-hydroxy-N-(1-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 137367929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).