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

C13H11BrClNO2S — CID 32775706

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCc1ccc(Br)s1
InChIInChI=1S/C13H11BrClNO2S/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)
InChIKeyLXIYPHSIFCUWMA-UHFFFAOYSA-N
MW360.66 g/mol
LogP3.86
Rot. Bonds5

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

N-[(5-bromothiophen-2-yl)methyl]-2-(4-chlorophenoxy)acetamide (PubChem CID 32775706) has the molecular formula C13H11BrClNO2S and a molecular weight of 360.66 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-(4-chlorophenoxy)acetamide
PubChem CID32775706
Molecular FormulaC13H11BrClNO2S
Molecular Weight360.66 g/mol
Exact Mass358.94
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCc1ccc(Br)s1
InChIInChI=1S/C13H11BrClNO2S/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)
InChIKeyLXIYPHSIFCUWMA-UHFFFAOYSA-N
XLogP3.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.66
LogP ≤ 53.86
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-fluorophenoxy)acetamide
CID 32774847
2-[4-(4-chlorobenzoyl)phenoxy]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 55791868
2-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid
CID 61328653
N-[(5-bromothiophen-2-yl)methyl]-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 33295688
2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride
CID 119292889
2-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280
2-(4-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]acetamide
CID 115598858
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 110285271
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
2-(4-chlorophenoxy)-N-[[4-(methylaminomethyl)phenyl]methyl]acetamide
CID 170046008
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[2-(4-chlorophenoxy)ethyl]acetamide
CID 8971820

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-(4-chlorophenoxy)acetamide (CID 32775706) is N-[(5-bromothiophen-2-yl)methyl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-(4-chlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1)NCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is LXIYPHSIFCUWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO2S/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-chlorophenoxy)acetamide?
N-[(5-bromothiophen-2-yl)methyl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 360.66 g/mol, XLogP of 3.86, 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-chlorophenoxy)acetamide is sourced from PubChem (CID 32775706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).