5-bromo-2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]benzamide

C14H12BrCl2NO2S — CID 121180187

IUPAC5-bromo-2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]benzamide
SMILESCOC(CNC(=O)c1cc(Br)ccc1Cl)c1ccc(Cl)s1
InChIInChI=1S/C14H12BrCl2NO2S/c1-20-11(12-4-5-13(17)21-12)7-18-14(19)9-6-8(15)2-3-10(9)16/h2-6,11H,7H2,1H3,(H,18,19)
InChIKeyQVFUQTKFFSJDSN-UHFFFAOYSA-N
MW409.13 g/mol
LogP4.93
Rot. Bonds5

About 5-bromo-2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]benzamide

5-bromo-2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]benzamide (PubChem CID 121180187) has the molecular formula C14H12BrCl2NO2S and a molecular weight of 409.13 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]benzamide
PubChem CID121180187
Molecular FormulaC14H12BrCl2NO2S
Molecular Weight409.13 g/mol
Exact Mass406.91
IUPAC Name5-bromo-2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]benzamide
SMILESCOC(CNC(=O)c1cc(Br)ccc1Cl)c1ccc(Cl)s1
InChIInChI=1S/C14H12BrCl2NO2S/c1-20-11(12-4-5-13(17)21-12)7-18-14(19)9-6-8(15)2-3-10(9)16/h2-6,11H,7H2,1H3,(H,18,19)
InChIKeyQVFUQTKFFSJDSN-UHFFFAOYSA-N
XLogP4.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.13
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-5-nitrobenzamide
CID 121180166
5-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methoxybenzamide
CID 121180146
2,5-dichloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide
CID 90598394
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylbenzamide
CID 91630971
5-bromo-2-chloro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzamide
CID 90598056
5-bromo-2-chloro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
CID 90623399
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3,5-bis(trifluoromethyl)benzamide
CID 121180192
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-benzofuran-2-carboxamide
CID 121180105
N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]furan-3-carboxamide
CID 100728789
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]butanamide
CID 121180066
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 121180121
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methyl-3-nitrobenzamide
CID 121180131

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]benzamide (CID 121180187) is 5-bromo-2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]benzamide is COC(CNC(=O)c1cc(Br)ccc1Cl)c1ccc(Cl)s1.
What is the InChIKey of 5-bromo-2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]benzamide?
The InChIKey is QVFUQTKFFSJDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2NO2S/c1-20-11(12-4-5-13(17)21-12)7-18-14(19)9-6-8(15)2-3-10(9)16/h2-6,11H,7H2,1H3,(H,18,19).
What are the key properties of 5-bromo-2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]benzamide?
5-bromo-2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]benzamide has a molecular weight of 409.13 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]benzamide is sourced from PubChem (CID 121180187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).