4-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-fluorobenzamide

C12H8Br2FNOS — CID 78986020

IUPAC4-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-fluorobenzamide
SMILESO=C(NCc1sccc1Br)c1ccc(Br)cc1F
InChIInChI=1S/C12H8Br2FNOS/c13-7-1-2-8(10(15)5-7)12(17)16-6-11-9(14)3-4-18-11/h1-5H,6H2,(H,16,17)
InChIKeySDEYCYQBSXSJOP-UHFFFAOYSA-N
MW393.08 g/mol
LogP4.34
Rot. Bonds3

About 4-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-fluorobenzamide

4-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-fluorobenzamide (PubChem CID 78986020) has the molecular formula C12H8Br2FNOS and a molecular weight of 393.08 g/mol. Its IUPAC name is 4-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-fluorobenzamide
PubChem CID78986020
Molecular FormulaC12H8Br2FNOS
Molecular Weight393.08 g/mol
Exact Mass390.87
IUPAC Name4-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-fluorobenzamide
SMILESO=C(NCc1sccc1Br)c1ccc(Br)cc1F
InChIInChI=1S/C12H8Br2FNOS/c13-7-1-2-8(10(15)5-7)12(17)16-6-11-9(14)3-4-18-11/h1-5H,6H2,(H,16,17)
InChIKeySDEYCYQBSXSJOP-UHFFFAOYSA-N
XLogP4.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.08
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromothiophen-2-yl)methyl]-4-chloro-2-fluorobenzamide
CID 78986114
N-[(3-bromothiophen-2-yl)methyl]-2,4-difluoro-5-methylbenzamide
CID 112696487
5-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-iodobenzamide
CID 114033134
4-bromo-2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63283747
4-bromo-2-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577900
4-bromo-2-fluoro-N-(methoxymethyl)benzamide
CID 71433414
N-[(3-bromothiophen-2-yl)methyl]-2-fluoro-6-methoxybenzamide
CID 79209843
5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 79012096
4-bromo-2-fluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 43242545
4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide
CID 79080028
3-bromo-N-[(3-bromothiophen-2-yl)methyl]-5-methylbenzamide
CID 113460610
N-[(3-bromothiophen-2-yl)methyl]thiophene-2-carboxamide
CID 78985953

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-fluorobenzamide (CID 78986020) is 4-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-fluorobenzamide is O=C(NCc1sccc1Br)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-fluorobenzamide?
The InChIKey is SDEYCYQBSXSJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2FNOS/c13-7-1-2-8(10(15)5-7)12(17)16-6-11-9(14)3-4-18-11/h1-5H,6H2,(H,16,17).
What are the key properties of 4-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-fluorobenzamide?
4-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-fluorobenzamide has a molecular weight of 393.08 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 78986020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).