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

C13H10Br2FNOS — CID 47421884

IUPAC4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzamide
SMILESCN(Cc1cc(Br)cs1)C(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H10Br2FNOS/c1-17(6-10-5-9(14)7-19-10)13(18)8-2-3-11(15)12(16)4-8/h2-5,7H,6H2,1H3
InChIKeyWOHCTYSJGDIWOR-UHFFFAOYSA-N
MW407.10 g/mol
LogP4.68
Rot. Bonds3

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

4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzamide (PubChem CID 47421884) has the molecular formula C13H10Br2FNOS and a molecular weight of 407.10 g/mol. Its IUPAC name is 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzamide
PubChem CID47421884
Molecular FormulaC13H10Br2FNOS
Molecular Weight407.10 g/mol
Exact Mass404.88
IUPAC Name4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzamide
SMILESCN(Cc1cc(Br)cs1)C(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H10Br2FNOS/c1-17(6-10-5-9(14)7-19-10)13(18)8-2-3-11(15)12(16)4-8/h2-5,7H,6H2,1H3
InChIKeyWOHCTYSJGDIWOR-UHFFFAOYSA-N
XLogP4.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.10
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-N-methyl-3-sulfanylbenzamide
CID 107026057
4-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]benzoic acid
CID 60971340
N-[(4-bromothiophen-2-yl)methyl]-4-tert-butyl-N-methylbenzamide
CID 63531679
N-[(4-bromothiophen-2-yl)methyl]-3-chloro-4-iodo-N-methylbenzamide
CID 103220863
N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N,5-dimethylbenzamide
CID 112695551
4-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730250
4-N-[(4-bromothiophen-2-yl)methyl]-1-N-tert-butyl-4-N-methylbenzene-1,4-dicarboxamide
CID 48858058
N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 64950094
N-[(4-bromothiophen-2-yl)methyl]-3-cyano-N-methylbenzamide
CID 47042133
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712082
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indazole-6-carboxamide
CID 62921447
N-[(4-bromothiophen-2-yl)methyl]-3-(methoxymethyl)-N-methylbenzamide
CID 47042156

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzamide?
The IUPAC name of 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzamide (CID 47421884) is 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzamide.
What is the SMILES notation for 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzamide?
The canonical SMILES for 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzamide is CN(Cc1cc(Br)cs1)C(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzamide?
The InChIKey is WOHCTYSJGDIWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2FNOS/c1-17(6-10-5-9(14)7-19-10)13(18)8-2-3-11(15)12(16)4-8/h2-5,7H,6H2,1H3.
What are the key properties of 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzamide?
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzamide has a molecular weight of 407.10 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 47421884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).