5-[(5-bromo-2-methoxyphenyl)methylamino]-2-fluorobenzamide

C15H14BrFN2O2 — CID 43705314

IUPAC5-[(5-bromo-2-methoxyphenyl)methylamino]-2-fluorobenzamide
SMILESCOc1ccc(Br)cc1CNc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C15H14BrFN2O2/c1-21-14-5-2-10(16)6-9(14)8-19-11-3-4-13(17)12(7-11)15(18)20/h2-7,19H,8H2,1H3,(H2,18,20)
InChIKeyJVSPVLQAGFPLQA-UHFFFAOYSA-N
MW353.19 g/mol
LogP3.31
Rot. Bonds5

About 5-[(5-bromo-2-methoxyphenyl)methylamino]-2-fluorobenzamide

5-[(5-bromo-2-methoxyphenyl)methylamino]-2-fluorobenzamide (PubChem CID 43705314) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 5-[(5-bromo-2-methoxyphenyl)methylamino]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[(5-bromo-2-methoxyphenyl)methylamino]-2-fluorobenzamide
PubChem CID43705314
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name5-[(5-bromo-2-methoxyphenyl)methylamino]-2-fluorobenzamide
SMILESCOc1ccc(Br)cc1CNc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C15H14BrFN2O2/c1-21-14-5-2-10(16)6-9(14)8-19-11-3-4-13(17)12(7-11)15(18)20/h2-7,19H,8H2,1H3,(H2,18,20)
InChIKeyJVSPVLQAGFPLQA-UHFFFAOYSA-N
XLogP3.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 43380671
methyl 5-[(5-bromo-2-hydroxyphenyl)methylamino]-2-fluorobenzoate
CID 107737733
N-[(5-bromo-2-methoxyphenyl)methyl]-3,4,5-trifluoroaniline
CID 62810813
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxyaniline
CID 82858279
2-fluoro-5-[(2-fluorophenyl)methylamino]benzamide
CID 43705456
N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoro-5-methylaniline
CID 79055350
N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline
CID 43087958
methyl 5-[(5-bromo-2-methoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 2039329
N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818043
5-[(2-chlorophenyl)methylamino]-2-fluorobenzamide
CID 43705170
4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethylaniline
CID 81291722
5-[(5-bromo-2-methoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 1227105

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-methoxyphenyl)methylamino]-2-fluorobenzamide?
The IUPAC name of 5-[(5-bromo-2-methoxyphenyl)methylamino]-2-fluorobenzamide (CID 43705314) is 5-[(5-bromo-2-methoxyphenyl)methylamino]-2-fluorobenzamide.
What is the SMILES notation for 5-[(5-bromo-2-methoxyphenyl)methylamino]-2-fluorobenzamide?
The canonical SMILES for 5-[(5-bromo-2-methoxyphenyl)methylamino]-2-fluorobenzamide is COc1ccc(Br)cc1CNc1ccc(F)c(C(N)=O)c1.
What is the InChIKey of 5-[(5-bromo-2-methoxyphenyl)methylamino]-2-fluorobenzamide?
The InChIKey is JVSPVLQAGFPLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c1-21-14-5-2-10(16)6-9(14)8-19-11-3-4-13(17)12(7-11)15(18)20/h2-7,19H,8H2,1H3,(H2,18,20).
What are the key properties of 5-[(5-bromo-2-methoxyphenyl)methylamino]-2-fluorobenzamide?
5-[(5-bromo-2-methoxyphenyl)methylamino]-2-fluorobenzamide has a molecular weight of 353.19 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-methoxyphenyl)methylamino]-2-fluorobenzamide is sourced from PubChem (CID 43705314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).