2,4-dichloro-3-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-6-fluoro-N-(1-methyltetrazol-5-yl)benzamide

C15H17Cl2FN6O3 — CID 137424548

IUPAC2,4-dichloro-3-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-6-fluoro-N-(1-methyltetrazol-5-yl)benzamide
SMILESCN(C)C(=O)C(C)(C)Oc1c(Cl)cc(F)c(C(=O)Nc2nnnn2C)c1Cl
InChIInChI=1S/C15H17Cl2FN6O3/c1-15(2,13(26)23(3)4)27-11-7(16)6-8(18)9(10(11)17)12(25)19-14-20-21-22-24(14)5/h6H,1-5H3,(H,19,20,22,25)
InChIKeyNYWGOJSYXLMZFF-UHFFFAOYSA-N
MW419.24 g/mol
LogP2.15
Rot. Bonds5

About 2,4-dichloro-3-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-6-fluoro-N-(1-methyltetrazol-5-yl)benzamide

2,4-dichloro-3-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-6-fluoro-N-(1-methyltetrazol-5-yl)benzamide (PubChem CID 137424548) has the molecular formula C15H17Cl2FN6O3 and a molecular weight of 419.24 g/mol. Its IUPAC name is 2,4-dichloro-3-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-6-fluoro-N-(1-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-3-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-6-fluoro-N-(1-methyltetrazol-5-yl)benzamide
PubChem CID137424548
Molecular FormulaC15H17Cl2FN6O3
Molecular Weight419.24 g/mol
Exact Mass418.07
IUPAC Name2,4-dichloro-3-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-6-fluoro-N-(1-methyltetrazol-5-yl)benzamide
SMILESCN(C)C(=O)C(C)(C)Oc1c(Cl)cc(F)c(C(=O)Nc2nnnn2C)c1Cl
InChIInChI=1S/C15H17Cl2FN6O3/c1-15(2,13(26)23(3)4)27-11-7(16)6-8(18)9(10(11)17)12(25)19-14-20-21-22-24(14)5/h6H,1-5H3,(H,19,20,22,25)
InChIKeyNYWGOJSYXLMZFF-UHFFFAOYSA-N
XLogP2.15
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-6-fluoro-N-(1-methyltetrazol-5-yl)benzamide?
The IUPAC name of 2,4-dichloro-3-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-6-fluoro-N-(1-methyltetrazol-5-yl)benzamide (CID 137424548) is 2,4-dichloro-3-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-6-fluoro-N-(1-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-3-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-6-fluoro-N-(1-methyltetrazol-5-yl)benzamide?
The canonical SMILES for 2,4-dichloro-3-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-6-fluoro-N-(1-methyltetrazol-5-yl)benzamide is CN(C)C(=O)C(C)(C)Oc1c(Cl)cc(F)c(C(=O)Nc2nnnn2C)c1Cl.
What is the InChIKey of 2,4-dichloro-3-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-6-fluoro-N-(1-methyltetrazol-5-yl)benzamide?
The InChIKey is NYWGOJSYXLMZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2FN6O3/c1-15(2,13(26)23(3)4)27-11-7(16)6-8(18)9(10(11)17)12(25)19-14-20-21-22-24(14)5/h6H,1-5H3,(H,19,20,22,25).
What are the key properties of 2,4-dichloro-3-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-6-fluoro-N-(1-methyltetrazol-5-yl)benzamide?
2,4-dichloro-3-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-6-fluoro-N-(1-methyltetrazol-5-yl)benzamide has a molecular weight of 419.24 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-6-fluoro-N-(1-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 137424548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).