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

C16H12Cl2FN5O2 — CID 137424434

IUPAC2,4-dichloro-6-fluoro-N-(1-methyltetrazol-5-yl)-3-phenylmethoxybenzamide
SMILESCn1nnnc1NC(=O)c1c(F)cc(Cl)c(OCc2ccccc2)c1Cl
InChIInChI=1S/C16H12Cl2FN5O2/c1-24-16(21-22-23-24)20-15(25)12-11(19)7-10(17)14(13(12)18)26-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,20,21,23,25)
InChIKeyJHWDUPUKTTYYPX-UHFFFAOYSA-N
MW396.21 g/mol
LogP3.49
Rot. Bonds5

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

2,4-dichloro-6-fluoro-N-(1-methyltetrazol-5-yl)-3-phenylmethoxybenzamide (PubChem CID 137424434) has the molecular formula C16H12Cl2FN5O2 and a molecular weight of 396.21 g/mol. Its IUPAC name is 2,4-dichloro-6-fluoro-N-(1-methyltetrazol-5-yl)-3-phenylmethoxybenzamide.

Molecular Properties

Compound Name2,4-dichloro-6-fluoro-N-(1-methyltetrazol-5-yl)-3-phenylmethoxybenzamide
PubChem CID137424434
Molecular FormulaC16H12Cl2FN5O2
Molecular Weight396.21 g/mol
Exact Mass395.04
IUPAC Name2,4-dichloro-6-fluoro-N-(1-methyltetrazol-5-yl)-3-phenylmethoxybenzamide
SMILESCn1nnnc1NC(=O)c1c(F)cc(Cl)c(OCc2ccccc2)c1Cl
InChIInChI=1S/C16H12Cl2FN5O2/c1-24-16(21-22-23-24)20-15(25)12-11(19)7-10(17)14(13(12)18)26-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,20,21,23,25)
InChIKeyJHWDUPUKTTYYPX-UHFFFAOYSA-N
XLogP3.49
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.21
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-fluoro-N-(1-methyltetrazol-5-yl)-3-phenylmethoxybenzamide?
The IUPAC name of 2,4-dichloro-6-fluoro-N-(1-methyltetrazol-5-yl)-3-phenylmethoxybenzamide (CID 137424434) is 2,4-dichloro-6-fluoro-N-(1-methyltetrazol-5-yl)-3-phenylmethoxybenzamide.
What is the SMILES notation for 2,4-dichloro-6-fluoro-N-(1-methyltetrazol-5-yl)-3-phenylmethoxybenzamide?
The canonical SMILES for 2,4-dichloro-6-fluoro-N-(1-methyltetrazol-5-yl)-3-phenylmethoxybenzamide is Cn1nnnc1NC(=O)c1c(F)cc(Cl)c(OCc2ccccc2)c1Cl.
What is the InChIKey of 2,4-dichloro-6-fluoro-N-(1-methyltetrazol-5-yl)-3-phenylmethoxybenzamide?
The InChIKey is JHWDUPUKTTYYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FN5O2/c1-24-16(21-22-23-24)20-15(25)12-11(19)7-10(17)14(13(12)18)26-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,20,21,23,25).
What are the key properties of 2,4-dichloro-6-fluoro-N-(1-methyltetrazol-5-yl)-3-phenylmethoxybenzamide?
2,4-dichloro-6-fluoro-N-(1-methyltetrazol-5-yl)-3-phenylmethoxybenzamide has a molecular weight of 396.21 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-fluoro-N-(1-methyltetrazol-5-yl)-3-phenylmethoxybenzamide is sourced from PubChem (CID 137424434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).