N-(2-bromo-5-fluorophenyl)-4-thiophen-2-ylbutanamide

C14H13BrFNOS — CID 103753352

IUPACN-(2-bromo-5-fluorophenyl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1cc(F)ccc1Br
InChIInChI=1S/C14H13BrFNOS/c15-12-7-6-10(16)9-13(12)17-14(18)5-1-3-11-4-2-8-19-11/h2,4,6-9H,1,3,5H2,(H,17,18)
InChIKeyBUVXPDPJZKPEIE-UHFFFAOYSA-N
MW342.23 g/mol
LogP4.61
Rot. Bonds5

About N-(2-bromo-5-fluorophenyl)-4-thiophen-2-ylbutanamide

N-(2-bromo-5-fluorophenyl)-4-thiophen-2-ylbutanamide (PubChem CID 103753352) has the molecular formula C14H13BrFNOS and a molecular weight of 342.23 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-4-thiophen-2-ylbutanamide
PubChem CID103753352
Molecular FormulaC14H13BrFNOS
Molecular Weight342.23 g/mol
Exact Mass340.99
IUPAC NameN-(2-bromo-5-fluorophenyl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1cc(F)ccc1Br
InChIInChI=1S/C14H13BrFNOS/c15-12-7-6-10(16)9-13(12)17-14(18)5-1-3-11-4-2-8-19-11/h2,4,6-9H,1,3,5H2,(H,17,18)
InChIKeyBUVXPDPJZKPEIE-UHFFFAOYSA-N
XLogP4.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-methylphenyl)-4-thiophen-2-ylbutanamide
CID 82707214
N-(2-bromo-5-fluorophenyl)-4-hydroxybutanamide
CID 107638337
5-(2-bromo-5-fluoroanilino)-5-oxopentanoic acid
CID 104573927
4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide
CID 78781844
N-(2-iodophenyl)-4-thiophen-2-ylbutanamide
CID 26087634
N-[2-(difluoromethoxy)phenyl]-4-thiophen-2-ylbutanamide
CID 78770266
2-bromo-5-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 107633039
N-(2-bromo-5-fluorophenyl)-4-ethoxybutanamide
CID 103753688
[2-(2,5-difluoroanilino)-2-oxoethyl] 3-thiophen-2-ylpropanoate
CID 8529533
N-(4-ethynyl-2,6-difluorophenyl)-4-thiophen-2-ylbutanamide
CID 71908608
N-methyl-2-(4-thiophen-2-ylbutanoylamino)benzamide
CID 39969290
N-[(4-fluorophenyl)methyl]-5-thiophen-2-ylpentanamide
CID 110297704

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-4-thiophen-2-ylbutanamide (CID 103753352) is N-(2-bromo-5-fluorophenyl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)Nc1cc(F)ccc1Br.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-4-thiophen-2-ylbutanamide?
The InChIKey is BUVXPDPJZKPEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNOS/c15-12-7-6-10(16)9-13(12)17-14(18)5-1-3-11-4-2-8-19-11/h2,4,6-9H,1,3,5H2,(H,17,18).
What are the key properties of N-(2-bromo-5-fluorophenyl)-4-thiophen-2-ylbutanamide?
N-(2-bromo-5-fluorophenyl)-4-thiophen-2-ylbutanamide has a molecular weight of 342.23 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 103753352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).