N-[(5-bromothiophen-2-yl)methyl]-4-fluoro-3-methoxybenzamide

C13H11BrFNO2S — CID 80979726

IUPACN-[(5-bromothiophen-2-yl)methyl]-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCc2ccc(Br)s2)ccc1F
InChIInChI=1S/C13H11BrFNO2S/c1-18-11-6-8(2-4-10(11)15)13(17)16-7-9-3-5-12(14)19-9/h2-6H,7H2,1H3,(H,16,17)
InChIKeyFCHSVDZRILZNQJ-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.59
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-4-fluoro-3-methoxybenzamide

N-[(5-bromothiophen-2-yl)methyl]-4-fluoro-3-methoxybenzamide (PubChem CID 80979726) has the molecular formula C13H11BrFNO2S and a molecular weight of 344.21 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-4-fluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-4-fluoro-3-methoxybenzamide
PubChem CID80979726
Molecular FormulaC13H11BrFNO2S
Molecular Weight344.21 g/mol
Exact Mass342.97
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCc2ccc(Br)s2)ccc1F
InChIInChI=1S/C13H11BrFNO2S/c1-18-11-6-8(2-4-10(11)15)13(17)16-7-9-3-5-12(14)19-9/h2-6H,7H2,1H3,(H,16,17)
InChIKeyFCHSVDZRILZNQJ-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-[(5-bromothiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 32773874
3-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide
CID 61140170
N-(2-bromoethyl)-4-fluoro-3-methoxybenzamide
CID 81284787
4-fluoro-3-methoxy-N-(2-sulfamoylethyl)benzamide
CID 81049854
N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-4-methoxybenzamide
CID 60794568
N-(3-bromopropyl)-4-fluoro-3-methoxybenzamide
CID 81284858
N-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethoxybenzamide
CID 32775718
4-fluoro-3-methoxy-N-prop-2-enylbenzamide
CID 80948629
4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-iodobenzamide
CID 112750821
methyl 2-bromo-3-[(4-fluoro-3-methoxybenzoyl)amino]propanoate
CID 103492375
4-bromo-3-fluoro-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 47450227
4-fluoro-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 81002204

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-4-fluoro-3-methoxybenzamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-4-fluoro-3-methoxybenzamide (CID 80979726) is N-[(5-bromothiophen-2-yl)methyl]-4-fluoro-3-methoxybenzamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-4-fluoro-3-methoxybenzamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-4-fluoro-3-methoxybenzamide is COc1cc(C(=O)NCc2ccc(Br)s2)ccc1F.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-4-fluoro-3-methoxybenzamide?
The InChIKey is FCHSVDZRILZNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2S/c1-18-11-6-8(2-4-10(11)15)13(17)16-7-9-3-5-12(14)19-9/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-4-fluoro-3-methoxybenzamide?
N-[(5-bromothiophen-2-yl)methyl]-4-fluoro-3-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-[(5-bromothiophen-2-yl)methyl]-4-fluoro-3-methoxybenzamide is sourced from PubChem (CID 80979726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).