5-bromo-N-[1-(4-chloro-3-fluoroanilino)-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide

C15H13BrClFN2O2S — CID 163289867

IUPAC5-bromo-N-[1-(4-chloro-3-fluoroanilino)-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(C)(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H13BrClFN2O2S/c1-15(2,20-13(21)11-5-6-12(16)23-11)14(22)19-8-3-4-9(17)10(18)7-8/h3-7H,1-2H3,(H,19,22)(H,20,21)
InChIKeyQEAYZBHPZFAJIK-UHFFFAOYSA-N
MW419.70 g/mol
LogP4.45
Rot. Bonds4

About 5-bromo-N-[1-(4-chloro-3-fluoroanilino)-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide

5-bromo-N-[1-(4-chloro-3-fluoroanilino)-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 163289867) has the molecular formula C15H13BrClFN2O2S and a molecular weight of 419.70 g/mol. Its IUPAC name is 5-bromo-N-[1-(4-chloro-3-fluoroanilino)-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(4-chloro-3-fluoroanilino)-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID163289867
Molecular FormulaC15H13BrClFN2O2S
Molecular Weight419.70 g/mol
Exact Mass417.96
IUPAC Name5-bromo-N-[1-(4-chloro-3-fluoroanilino)-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(C)(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H13BrClFN2O2S/c1-15(2,20-13(21)11-5-6-12(16)23-11)14(22)19-8-3-4-9(17)10(18)7-8/h3-7H,1-2H3,(H,19,22)(H,20,21)
InChIKeyQEAYZBHPZFAJIK-UHFFFAOYSA-N
XLogP4.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.70
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-[1-(4-chloro-3-fluoroanilino)-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(4-chloro-3-fluoroanilino)-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-(4-chloro-3-fluoroanilino)-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 163289867) is 5-bromo-N-[1-(4-chloro-3-fluoroanilino)-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(4-chloro-3-fluoroanilino)-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(4-chloro-3-fluoroanilino)-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(C)(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of 5-bromo-N-[1-(4-chloro-3-fluoroanilino)-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is QEAYZBHPZFAJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFN2O2S/c1-15(2,20-13(21)11-5-6-12(16)23-11)14(22)19-8-3-4-9(17)10(18)7-8/h3-7H,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 5-bromo-N-[1-(4-chloro-3-fluoroanilino)-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide?
5-bromo-N-[1-(4-chloro-3-fluoroanilino)-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 419.70 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(4-chloro-3-fluoroanilino)-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 163289867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).