N-[(3-bromothiophen-2-yl)methyl]-2-fluoro-6-methoxybenzamide

C13H11BrFNO2S — CID 79209843

IUPACN-[(3-bromothiophen-2-yl)methyl]-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NCc1sccc1Br
InChIInChI=1S/C13H11BrFNO2S/c1-18-10-4-2-3-9(15)12(10)13(17)16-7-11-8(14)5-6-19-11/h2-6H,7H2,1H3,(H,16,17)
InChIKeyBKZBDQMPQZXAQO-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.59
Rot. Bonds4

About N-[(3-bromothiophen-2-yl)methyl]-2-fluoro-6-methoxybenzamide

N-[(3-bromothiophen-2-yl)methyl]-2-fluoro-6-methoxybenzamide (PubChem CID 79209843) has the molecular formula C13H11BrFNO2S and a molecular weight of 344.21 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-2-fluoro-6-methoxybenzamide
PubChem CID79209843
Molecular FormulaC13H11BrFNO2S
Molecular Weight344.21 g/mol
Exact Mass342.97
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NCc1sccc1Br
InChIInChI=1S/C13H11BrFNO2S/c1-18-10-4-2-3-9(15)12(10)13(17)16-7-11-8(14)5-6-19-11/h2-6H,7H2,1H3,(H,16,17)
InChIKeyBKZBDQMPQZXAQO-UHFFFAOYSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromothiophen-2-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 112551244
N-[(3-bromothiophen-2-yl)methyl]-2,4-difluoro-5-methylbenzamide
CID 112696487
N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 81483225
4-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-fluorobenzamide
CID 78986020
2-amino-6-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 81420408
N-[(3-bromothiophen-2-yl)methyl]-4-chloro-2-fluorobenzamide
CID 78986114
N-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-5-methoxybenzamide
CID 78986095
2-amino-N-[(3-ethylthiophen-2-yl)methyl]-6-methoxybenzamide
CID 81420545
N-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 5216116
N-(2,2-dimethoxyethyl)-2-fluoro-6-methoxybenzamide
CID 65434019
N-(2-bromo-5-fluorophenyl)-2-fluoro-6-methoxybenzamide
CID 103756076
N-[(3-bromothiophen-2-yl)methyl]thiophene-2-carboxamide
CID 78985953

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-2-fluoro-6-methoxybenzamide?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-2-fluoro-6-methoxybenzamide (CID 79209843) is N-[(3-bromothiophen-2-yl)methyl]-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-2-fluoro-6-methoxybenzamide?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-2-fluoro-6-methoxybenzamide is COc1cccc(F)c1C(=O)NCc1sccc1Br.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-2-fluoro-6-methoxybenzamide?
The InChIKey is BKZBDQMPQZXAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2S/c1-18-10-4-2-3-9(15)12(10)13(17)16-7-11-8(14)5-6-19-11/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-2-fluoro-6-methoxybenzamide?
N-[(3-bromothiophen-2-yl)methyl]-2-fluoro-6-methoxybenzamide has a molecular weight of 344.21 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 79209843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).