N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-fluorophenyl)propanamide

C15H15BrFNOS — CID 30770191

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-fluorophenyl)propanamide
SMILESO=C(CCc1ccccc1F)NCCc1ccc(Br)s1
InChIInChI=1S/C15H15BrFNOS/c16-14-7-6-12(20-14)9-10-18-15(19)8-5-11-3-1-2-4-13(11)17/h1-4,6-7H,5,8-10H2,(H,18,19)
InChIKeyXHJRURVCJNUEAI-UHFFFAOYSA-N
MW356.26 g/mol
LogP3.94
Rot. Bonds6

About N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-fluorophenyl)propanamide

N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-fluorophenyl)propanamide (PubChem CID 30770191) has the molecular formula C15H15BrFNOS and a molecular weight of 356.26 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-fluorophenyl)propanamide
PubChem CID30770191
Molecular FormulaC15H15BrFNOS
Molecular Weight356.26 g/mol
Exact Mass355.00
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-fluorophenyl)propanamide
SMILESO=C(CCc1ccccc1F)NCCc1ccc(Br)s1
InChIInChI=1S/C15H15BrFNOS/c16-14-7-6-12(20-14)9-10-18-15(19)8-5-11-3-1-2-4-13(11)17/h1-4,6-7H,5,8-10H2,(H,18,19)
InChIKeyXHJRURVCJNUEAI-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-3-(4-fluorophenyl)propanamide
CID 29306500
3-(2-fluorophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
CID 31685116
N-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpentanamide
CID 86918398
4-[3-[2-(5-bromothiophen-2-yl)ethylamino]-3-oxopropyl]benzoic acid
CID 119182566
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-fluorobenzamide
CID 106047985
3-(2-fluorophenyl)-N-pentylpropanamide
CID 94133753
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
N-[2-(5-bromothiophen-2-yl)ethyl]-2,2-diphenylacetamide
CID 17415290
N-[2-(5-bromothiophen-2-yl)ethyl]-2-cyanoacetamide
CID 104696927
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(2-fluorophenyl)propanamide
CID 110627058
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 18267056
3-[4-(5-bromothiophen-2-yl)butanoylamino]propanoic acid
CID 43354897

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-fluorophenyl)propanamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-fluorophenyl)propanamide (CID 30770191) is N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-fluorophenyl)propanamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-fluorophenyl)propanamide is O=C(CCc1ccccc1F)NCCc1ccc(Br)s1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-fluorophenyl)propanamide?
The InChIKey is XHJRURVCJNUEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNOS/c16-14-7-6-12(20-14)9-10-18-15(19)8-5-11-3-1-2-4-13(11)17/h1-4,6-7H,5,8-10H2,(H,18,19).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-fluorophenyl)propanamide?
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-fluorophenyl)propanamide has a molecular weight of 356.26 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-fluorophenyl)propanamide is sourced from PubChem (CID 30770191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).