N-[(5-bromo-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide

C10H13BrFNOS — CID 168950860

IUPACN-[(5-bromo-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1sc(Br)cc1F
InChIInChI=1S/C10H13BrFNOS/c1-10(2,3)9(14)13-5-7-6(12)4-8(11)15-7/h4H,5H2,1-3H3,(H,13,14)
InChIKeyQNXSOWICVRTRDS-UHFFFAOYSA-N
MW294.19 g/mol
LogP3.31
Rot. Bonds2

About N-[(5-bromo-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide

N-[(5-bromo-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 168950860) has the molecular formula C10H13BrFNOS and a molecular weight of 294.19 g/mol. Its IUPAC name is N-[(5-bromo-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(5-bromo-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide
PubChem CID168950860
Molecular FormulaC10H13BrFNOS
Molecular Weight294.19 g/mol
Exact Mass292.99
IUPAC NameN-[(5-bromo-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1sc(Br)cc1F
InChIInChI=1S/C10H13BrFNOS/c1-10(2,3)9(14)13-5-7-6(12)4-8(11)15-7/h4H,5H2,1-3H3,(H,13,14)
InChIKeyQNXSOWICVRTRDS-UHFFFAOYSA-N
XLogP3.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(5-bromo-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide (CID 168950860) is N-[(5-bromo-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(5-bromo-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(5-bromo-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCc1sc(Br)cc1F.
What is the InChIKey of N-[(5-bromo-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is QNXSOWICVRTRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNOS/c1-10(2,3)9(14)13-5-7-6(12)4-8(11)15-7/h4H,5H2,1-3H3,(H,13,14).
What are the key properties of N-[(5-bromo-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide?
N-[(5-bromo-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 294.19 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 168950860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).