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

C13H11BrFNO2S — CID 60794568

IUPACN-[(4-bromothiophen-2-yl)methyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cc(Br)cs2)cc1F
InChIInChI=1S/C13H11BrFNO2S/c1-18-12-3-2-8(4-11(12)15)13(17)16-6-10-5-9(14)7-19-10/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyZZDBSOPGIRSQDA-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.59
Rot. Bonds4

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

N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-4-methoxybenzamide (PubChem CID 60794568) has the molecular formula C13H11BrFNO2S and a molecular weight of 344.21 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-3-fluoro-4-methoxybenzamide
PubChem CID60794568
Molecular FormulaC13H11BrFNO2S
Molecular Weight344.21 g/mol
Exact Mass342.97
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cc(Br)cs2)cc1F
InChIInChI=1S/C13H11BrFNO2S/c1-18-12-3-2-8(4-11(12)15)13(17)16-6-10-5-9(14)7-19-10/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyZZDBSOPGIRSQDA-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-[(4-bromothiophen-2-yl)methyl]-4-methoxy-3-nitrobenzamide
CID 60794569
N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 60736763
N-[[4-(bromomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 107233727
3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
CID 64997274
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 27514924
N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 62920214
N-[(4-bromothiophen-2-yl)methyl]-2-(2-methoxyphenyl)acetamide
CID 47250123
N-[(5-bromothiophen-2-yl)methyl]-4-fluoro-3-methoxybenzamide
CID 80979726
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-chlorobenzamide
CID 81295807
N-(4-bromobutyl)-3-fluoro-4-methoxybenzamide
CID 106845988
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983
3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 38293920

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-4-methoxybenzamide (CID 60794568) is N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NCc2cc(Br)cs2)cc1F.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-4-methoxybenzamide?
The InChIKey is ZZDBSOPGIRSQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2S/c1-18-12-3-2-8(4-11(12)15)13(17)16-6-10-5-9(14)7-19-10/h2-5,7H,6H2,1H3,(H,16,17).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-4-methoxybenzamide?
N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-4-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-[(4-bromothiophen-2-yl)methyl]-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 60794568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).