N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)acetamide

C13H11BrFNO2S — CID 32774847

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)NCc1ccc(Br)s1
InChIInChI=1S/C13H11BrFNO2S/c14-12-6-5-11(19-12)7-16-13(17)8-18-10-3-1-9(15)2-4-10/h1-6H,7-8H2,(H,16,17)
InChIKeySAKUFWONYMIOKF-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.34
Rot. Bonds5

About N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)acetamide

N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)acetamide (PubChem CID 32774847) has the molecular formula C13H11BrFNO2S and a molecular weight of 344.21 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
PubChem CID32774847
Molecular FormulaC13H11BrFNO2S
Molecular Weight344.21 g/mol
Exact Mass342.97
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)NCc1ccc(Br)s1
InChIInChI=1S/C13H11BrFNO2S/c14-12-6-5-11(19-12)7-16-13(17)8-18-10-3-1-9(15)2-4-10/h1-6H,7-8H2,(H,16,17)
InChIKeySAKUFWONYMIOKF-UHFFFAOYSA-N
XLogP3.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 32775769
N-[(5-bromothiophen-2-yl)methyl]-2-(4-chlorophenoxy)acetamide
CID 32775706
2-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid
CID 61328653
2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride
CID 119292889
2-[4-(4-fluorobenzoyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 2427182
2-(4-fluorophenoxy)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 49345468
N-(2-bromoprop-2-enyl)-2-(4-fluorophenoxy)acetamide
CID 115594704
2-(4-fluorophenoxy)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 110660416
2-[[2-(4-fluorophenoxy)acetyl]amino]acetate
CID 7100216
2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-[2-(4-fluorophenoxy)ethyl]acetamide
CID 55831285
2-(4-fluorophenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052645
ethyl 3-[(5-bromothiophen-2-yl)methylamino]-3-oxopropanoate
CID 115138552

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)acetamide (CID 32774847) is N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)acetamide is O=C(COc1ccc(F)cc1)NCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)acetamide?
The InChIKey is SAKUFWONYMIOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2S/c14-12-6-5-11(19-12)7-16-13(17)8-18-10-3-1-9(15)2-4-10/h1-6H,7-8H2,(H,16,17).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)acetamide?
N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)acetamide has a molecular weight of 344.21 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 32774847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).