N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-2-hydroxybenzamide

C12H9BrFNO2S — CID 103829795

IUPACN-[(4-bromothiophen-2-yl)methyl]-4-fluoro-2-hydroxybenzamide
SMILESO=C(NCc1cc(Br)cs1)c1ccc(F)cc1O
InChIInChI=1S/C12H9BrFNO2S/c13-7-3-9(18-6-7)5-15-12(17)10-2-1-8(14)4-11(10)16/h1-4,6,16H,5H2,(H,15,17)
InChIKeyICCPGNGATTVIEX-UHFFFAOYSA-N
MW330.18 g/mol
LogP3.29
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-2-hydroxybenzamide

N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-2-hydroxybenzamide (PubChem CID 103829795) has the molecular formula C12H9BrFNO2S and a molecular weight of 330.18 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-4-fluoro-2-hydroxybenzamide
PubChem CID103829795
Molecular FormulaC12H9BrFNO2S
Molecular Weight330.18 g/mol
Exact Mass328.95
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-4-fluoro-2-hydroxybenzamide
SMILESO=C(NCc1cc(Br)cs1)c1ccc(F)cc1O
InChIInChI=1S/C12H9BrFNO2S/c13-7-3-9(18-6-7)5-15-12(17)10-2-1-8(14)4-11(10)16/h1-4,6,16H,5H2,(H,15,17)
InChIKeyICCPGNGATTVIEX-UHFFFAOYSA-N
XLogP3.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydroxybenzamide
CID 107729654
N-[(4-bromophenyl)methyl]-4-fluoro-2-hydroxybenzamide
CID 107015007
N-[(4-bromothiophen-2-yl)methyl]-2,6-dihydroxybenzamide
CID 113254483
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-methylbenzamide
CID 47291588
2-amino-4-bromo-N-[(4-bromothiophen-2-yl)methyl]benzamide
CID 79723749
N-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluorobenzamide
CID 80979266
N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-3-methylbenzamide
CID 60793136
4-bromo-N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzamide
CID 62045941
N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylbenzamide
CID 112729651
N-[(4-bromothiophen-2-yl)methyl]-4-chloro-2-methylbenzamide
CID 103777410
4-bromo-N-[(3-fluorophenyl)methyl]-2-hydroxybenzamide
CID 47436066
N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)acetamide
CID 47250397

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-2-hydroxybenzamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-2-hydroxybenzamide (CID 103829795) is N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-2-hydroxybenzamide is O=C(NCc1cc(Br)cs1)c1ccc(F)cc1O.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-2-hydroxybenzamide?
The InChIKey is ICCPGNGATTVIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO2S/c13-7-3-9(18-6-7)5-15-12(17)10-2-1-8(14)4-11(10)16/h1-4,6,16H,5H2,(H,15,17).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-2-hydroxybenzamide?
N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-2-hydroxybenzamide has a molecular weight of 330.18 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 103829795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).