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

C13H13Cl2FN6O3 — CID 137424492

IUPAC2,4-dichloro-3-[2-(dimethylamino)-2-oxoethoxy]-6-fluoro-N-(1-methyltetrazol-5-yl)benzamide
SMILESCN(C)C(=O)COc1c(Cl)cc(F)c(C(=O)Nc2nnnn2C)c1Cl
InChIInChI=1S/C13H13Cl2FN6O3/c1-21(2)8(23)5-25-11-6(14)4-7(16)9(10(11)15)12(24)17-13-18-19-20-22(13)3/h4H,5H2,1-3H3,(H,17,18,20,24)
InChIKeyPOIRBCXHIDIGEW-UHFFFAOYSA-N
MW391.19 g/mol
LogP1.38
Rot. Bonds5

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

2,4-dichloro-3-[2-(dimethylamino)-2-oxoethoxy]-6-fluoro-N-(1-methyltetrazol-5-yl)benzamide (PubChem CID 137424492) has the molecular formula C13H13Cl2FN6O3 and a molecular weight of 391.19 g/mol. Its IUPAC name is 2,4-dichloro-3-[2-(dimethylamino)-2-oxoethoxy]-6-fluoro-N-(1-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-3-[2-(dimethylamino)-2-oxoethoxy]-6-fluoro-N-(1-methyltetrazol-5-yl)benzamide
PubChem CID137424492
Molecular FormulaC13H13Cl2FN6O3
Molecular Weight391.19 g/mol
Exact Mass390.04
IUPAC Name2,4-dichloro-3-[2-(dimethylamino)-2-oxoethoxy]-6-fluoro-N-(1-methyltetrazol-5-yl)benzamide
SMILESCN(C)C(=O)COc1c(Cl)cc(F)c(C(=O)Nc2nnnn2C)c1Cl
InChIInChI=1S/C13H13Cl2FN6O3/c1-21(2)8(23)5-25-11-6(14)4-7(16)9(10(11)15)12(24)17-13-18-19-20-22(13)3/h4H,5H2,1-3H3,(H,17,18,20,24)
InChIKeyPOIRBCXHIDIGEW-UHFFFAOYSA-N
XLogP1.38
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.19
LogP ≤ 51.38
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-[2-(dimethylamino)-2-oxoethoxy]-6-fluoro-N-(1-methyltetrazol-5-yl)benzamide?
The IUPAC name of 2,4-dichloro-3-[2-(dimethylamino)-2-oxoethoxy]-6-fluoro-N-(1-methyltetrazol-5-yl)benzamide (CID 137424492) is 2,4-dichloro-3-[2-(dimethylamino)-2-oxoethoxy]-6-fluoro-N-(1-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-3-[2-(dimethylamino)-2-oxoethoxy]-6-fluoro-N-(1-methyltetrazol-5-yl)benzamide?
The canonical SMILES for 2,4-dichloro-3-[2-(dimethylamino)-2-oxoethoxy]-6-fluoro-N-(1-methyltetrazol-5-yl)benzamide is CN(C)C(=O)COc1c(Cl)cc(F)c(C(=O)Nc2nnnn2C)c1Cl.
What is the InChIKey of 2,4-dichloro-3-[2-(dimethylamino)-2-oxoethoxy]-6-fluoro-N-(1-methyltetrazol-5-yl)benzamide?
The InChIKey is POIRBCXHIDIGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2FN6O3/c1-21(2)8(23)5-25-11-6(14)4-7(16)9(10(11)15)12(24)17-13-18-19-20-22(13)3/h4H,5H2,1-3H3,(H,17,18,20,24).
What are the key properties of 2,4-dichloro-3-[2-(dimethylamino)-2-oxoethoxy]-6-fluoro-N-(1-methyltetrazol-5-yl)benzamide?
2,4-dichloro-3-[2-(dimethylamino)-2-oxoethoxy]-6-fluoro-N-(1-methyltetrazol-5-yl)benzamide has a molecular weight of 391.19 g/mol, XLogP of 1.38, 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-[2-(dimethylamino)-2-oxoethoxy]-6-fluoro-N-(1-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 137424492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).