3-[(2-bromo-5-fluorophenyl)methylamino]-4-methoxybenzamide

C15H14BrFN2O2 — CID 103866343

IUPAC3-[(2-bromo-5-fluorophenyl)methylamino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NCc1cc(F)ccc1Br
InChIInChI=1S/C15H14BrFN2O2/c1-21-14-5-2-9(15(18)20)7-13(14)19-8-10-6-11(17)3-4-12(10)16/h2-7,19H,8H2,1H3,(H2,18,20)
InChIKeyQHUYPAHRCNGQHY-UHFFFAOYSA-N
MW353.19 g/mol
LogP3.31
Rot. Bonds5

About 3-[(2-bromo-5-fluorophenyl)methylamino]-4-methoxybenzamide

3-[(2-bromo-5-fluorophenyl)methylamino]-4-methoxybenzamide (PubChem CID 103866343) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 3-[(2-bromo-5-fluorophenyl)methylamino]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[(2-bromo-5-fluorophenyl)methylamino]-4-methoxybenzamide
PubChem CID103866343
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name3-[(2-bromo-5-fluorophenyl)methylamino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NCc1cc(F)ccc1Br
InChIInChI=1S/C15H14BrFN2O2/c1-21-14-5-2-9(15(18)20)7-13(14)19-8-10-6-11(17)3-4-12(10)16/h2-7,19H,8H2,1H3,(H2,18,20)
InChIKeyQHUYPAHRCNGQHY-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

4-[(4-fluoro-2-methoxyanilino)methyl]-3-methylbenzamide
CID 114480113
4-[(5-bromo-2-methoxyanilino)methyl]benzamide
CID 61059474
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methoxybenzamide
CID 79578897
methyl 2-[(2-bromo-5-fluorophenyl)methylamino]benzoate
CID 71747092
4-[[(2-bromo-5-fluorophenyl)methylamino]methyl]-3-chlorobenzamide
CID 102664164
4-amino-3-[(2-methoxyphenyl)methylamino]benzamide
CID 63355954
4-methoxy-3-(prop-2-ynylamino)benzamide
CID 63952284
3-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid
CID 17058964
N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 55900087
3-[(3-aminothiophen-2-yl)methylamino]-4-methoxybenzamide
CID 66386759
3-(furan-2-ylmethylamino)-4-methoxybenzamide
CID 43735328
N-[(2-bromo-5-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 43380826

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-5-fluorophenyl)methylamino]-4-methoxybenzamide?
The IUPAC name of 3-[(2-bromo-5-fluorophenyl)methylamino]-4-methoxybenzamide (CID 103866343) is 3-[(2-bromo-5-fluorophenyl)methylamino]-4-methoxybenzamide.
What is the SMILES notation for 3-[(2-bromo-5-fluorophenyl)methylamino]-4-methoxybenzamide?
The canonical SMILES for 3-[(2-bromo-5-fluorophenyl)methylamino]-4-methoxybenzamide is COc1ccc(C(N)=O)cc1NCc1cc(F)ccc1Br.
What is the InChIKey of 3-[(2-bromo-5-fluorophenyl)methylamino]-4-methoxybenzamide?
The InChIKey is QHUYPAHRCNGQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c1-21-14-5-2-9(15(18)20)7-13(14)19-8-10-6-11(17)3-4-12(10)16/h2-7,19H,8H2,1H3,(H2,18,20).
What are the key properties of 3-[(2-bromo-5-fluorophenyl)methylamino]-4-methoxybenzamide?
3-[(2-bromo-5-fluorophenyl)methylamino]-4-methoxybenzamide 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 3-[(2-bromo-5-fluorophenyl)methylamino]-4-methoxybenzamide is sourced from PubChem (CID 103866343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).