4-bromo-2-fluoro-6-[(2-methoxyphenyl)methyl-methylamino]benzamide

C16H16BrFN2O2 — CID 133423528

IUPAC4-bromo-2-fluoro-6-[(2-methoxyphenyl)methyl-methylamino]benzamide
SMILESCOc1ccccc1CN(C)c1cc(Br)cc(F)c1C(N)=O
InChIInChI=1S/C16H16BrFN2O2/c1-20(9-10-5-3-4-6-14(10)22-2)13-8-11(17)7-12(18)15(13)16(19)21/h3-8H,9H2,1-2H3,(H2,19,21)
InChIKeyZPSZQEHVOFRUAJ-UHFFFAOYSA-N
MW367.22 g/mol
LogP3.33
Rot. Bonds5

About 4-bromo-2-fluoro-6-[(2-methoxyphenyl)methyl-methylamino]benzamide

4-bromo-2-fluoro-6-[(2-methoxyphenyl)methyl-methylamino]benzamide (PubChem CID 133423528) has the molecular formula C16H16BrFN2O2 and a molecular weight of 367.22 g/mol. Its IUPAC name is 4-bromo-2-fluoro-6-[(2-methoxyphenyl)methyl-methylamino]benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-6-[(2-methoxyphenyl)methyl-methylamino]benzamide
PubChem CID133423528
Molecular FormulaC16H16BrFN2O2
Molecular Weight367.22 g/mol
Exact Mass366.04
IUPAC Name4-bromo-2-fluoro-6-[(2-methoxyphenyl)methyl-methylamino]benzamide
SMILESCOc1ccccc1CN(C)c1cc(Br)cc(F)c1C(N)=O
InChIInChI=1S/C16H16BrFN2O2/c1-20(9-10-5-3-4-6-14(10)22-2)13-8-11(17)7-12(18)15(13)16(19)21/h3-8H,9H2,1-2H3,(H2,19,21)
InChIKeyZPSZQEHVOFRUAJ-UHFFFAOYSA-N
XLogP3.33
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.22
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[3-fluoro-4-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanol
CID 63371058
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N-(4-bromo-2-fluorophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 18094027
3-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27095531
1-(4-bromophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]ethanone
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CID 115366747
4-fluoro-2-[(2-methoxy-N-methylanilino)methyl]benzoic acid
CID 107907694
1-[2-amino-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanone
CID 104612473
4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 63094373
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxy-N-methylaniline
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4-bromo-3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
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CID 60718962

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-6-[(2-methoxyphenyl)methyl-methylamino]benzamide?
The IUPAC name of 4-bromo-2-fluoro-6-[(2-methoxyphenyl)methyl-methylamino]benzamide (CID 133423528) is 4-bromo-2-fluoro-6-[(2-methoxyphenyl)methyl-methylamino]benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-6-[(2-methoxyphenyl)methyl-methylamino]benzamide?
The canonical SMILES for 4-bromo-2-fluoro-6-[(2-methoxyphenyl)methyl-methylamino]benzamide is COc1ccccc1CN(C)c1cc(Br)cc(F)c1C(N)=O.
What is the InChIKey of 4-bromo-2-fluoro-6-[(2-methoxyphenyl)methyl-methylamino]benzamide?
The InChIKey is ZPSZQEHVOFRUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O2/c1-20(9-10-5-3-4-6-14(10)22-2)13-8-11(17)7-12(18)15(13)16(19)21/h3-8H,9H2,1-2H3,(H2,19,21).
What are the key properties of 4-bromo-2-fluoro-6-[(2-methoxyphenyl)methyl-methylamino]benzamide?
4-bromo-2-fluoro-6-[(2-methoxyphenyl)methyl-methylamino]benzamide has a molecular weight of 367.22 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-6-[(2-methoxyphenyl)methyl-methylamino]benzamide is sourced from PubChem (CID 133423528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).