N-(4-bromo-2-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide

C16H14BrFN2OS — CID 20907195

IUPACN-(4-bromo-2-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide
SMILESCC1CN(C(=O)Nc2ccc(Br)cc2F)c2ccccc2S1
InChIInChI=1S/C16H14BrFN2OS/c1-10-9-20(14-4-2-3-5-15(14)22-10)16(21)19-13-7-6-11(17)8-12(13)18/h2-8,10H,9H2,1H3,(H,19,21)
InChIKeyRHMVKKJZRCRVAW-UHFFFAOYSA-N
MW381.27 g/mol
LogP5.12
Rot. Bonds1

About N-(4-bromo-2-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide

N-(4-bromo-2-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide (PubChem CID 20907195) has the molecular formula C16H14BrFN2OS and a molecular weight of 381.27 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide
PubChem CID20907195
Molecular FormulaC16H14BrFN2OS
Molecular Weight381.27 g/mol
Exact Mass380.00
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide
SMILESCC1CN(C(=O)Nc2ccc(Br)cc2F)c2ccccc2S1
InChIInChI=1S/C16H14BrFN2OS/c1-10-9-20(14-4-2-3-5-15(14)22-10)16(21)19-13-7-6-11(17)8-12(13)18/h2-8,10H,9H2,1H3,(H,19,21)
InChIKeyRHMVKKJZRCRVAW-UHFFFAOYSA-N
XLogP5.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.27
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide (CID 20907195) is N-(4-bromo-2-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide is CC1CN(C(=O)Nc2ccc(Br)cc2F)c2ccccc2S1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
The InChIKey is RHMVKKJZRCRVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2OS/c1-10-9-20(14-4-2-3-5-15(14)22-10)16(21)19-13-7-6-11(17)8-12(13)18/h2-8,10H,9H2,1H3,(H,19,21).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
N-(4-bromo-2-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide has a molecular weight of 381.27 g/mol, XLogP of 5.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide is sourced from PubChem (CID 20907195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).