5-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide

C14H12BrFN2O2S — CID 27794621

IUPAC5-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(Br)s1
InChIInChI=1S/C14H12BrFN2O2S/c1-18(14(20)11-5-6-12(15)21-11)8-13(19)17-10-4-2-3-9(16)7-10/h2-7H,8H2,1H3,(H,17,19)
InChIKeyQKZGWPLBMGOYJX-UHFFFAOYSA-N
MW371.23 g/mol
LogP3.36
Rot. Bonds4

About 5-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide

5-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide (PubChem CID 27794621) has the molecular formula C14H12BrFN2O2S and a molecular weight of 371.23 g/mol. Its IUPAC name is 5-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
PubChem CID27794621
Molecular FormulaC14H12BrFN2O2S
Molecular Weight371.23 g/mol
Exact Mass369.98
IUPAC Name5-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(Br)s1
InChIInChI=1S/C14H12BrFN2O2S/c1-18(14(20)11-5-6-12(15)21-11)8-13(19)17-10-4-2-3-9(16)7-10/h2-7H,8H2,1H3,(H,17,19)
InChIKeyQKZGWPLBMGOYJX-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9439622
3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9439130
N-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-5-bromo-N-methylthiophene-2-carboxamide
CID 55883523
5-bromo-N-[2-(4-tert-butylanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55822167
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 7936791
4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7719433
5-bromo-N-methyl-N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]thiophene-2-carboxamide
CID 55823120
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-iodo-N-methylbenzamide
CID 27794667
N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
CID 2658590
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methoxy-N-methylbenzamide
CID 27794645
5-bromo-N-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55875489
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxopentanamide
CID 9439621

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide (CID 27794621) is 5-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide is CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is QKZGWPLBMGOYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2S/c1-18(14(20)11-5-6-12(15)21-11)8-13(19)17-10-4-2-3-9(16)7-10/h2-7H,8H2,1H3,(H,17,19).
What are the key properties of 5-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide?
5-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 371.23 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 27794621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).