4-[(5-amino-2-bromophenoxy)methyl]-3-fluorobenzamide

C14H12BrFN2O2 — CID 103009131

IUPAC4-[(5-amino-2-bromophenoxy)methyl]-3-fluorobenzamide
SMILESNC(=O)c1ccc(COc2cc(N)ccc2Br)c(F)c1
InChIInChI=1S/C14H12BrFN2O2/c15-11-4-3-10(17)6-13(11)20-7-9-2-1-8(14(18)19)5-12(9)16/h1-6H,7,17H2,(H2,18,19)
InChIKeySVSKJARESXYPAR-UHFFFAOYSA-N
MW339.16 g/mol
LogP2.85
Rot. Bonds4

About 4-[(5-amino-2-bromophenoxy)methyl]-3-fluorobenzamide

4-[(5-amino-2-bromophenoxy)methyl]-3-fluorobenzamide (PubChem CID 103009131) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is 4-[(5-amino-2-bromophenoxy)methyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[(5-amino-2-bromophenoxy)methyl]-3-fluorobenzamide
PubChem CID103009131
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name4-[(5-amino-2-bromophenoxy)methyl]-3-fluorobenzamide
SMILESNC(=O)c1ccc(COc2cc(N)ccc2Br)c(F)c1
InChIInChI=1S/C14H12BrFN2O2/c15-11-4-3-10(17)6-13(11)20-7-9-2-1-8(14(18)19)5-12(9)16/h1-6H,7,17H2,(H2,18,19)
InChIKeySVSKJARESXYPAR-UHFFFAOYSA-N
XLogP2.85
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-[(2-hydroxyphenoxy)methyl]benzamide
CID 43326327
4-bromo-3-[(2-fluoro-4-methoxyphenyl)methoxy]aniline
CID 103009094
4-[(3-bromo-4-fluorophenoxy)methyl]-3-fluorobenzamide
CID 83231247
4-[(4-bromo-3,5-dimethylphenoxy)methyl]-3-fluorobenzamide
CID 107723748
4-[(2-amino-4-methoxyphenoxy)methyl]-3-fluorobenzamide
CID 24697423
4-[[4-(2-aminoethyl)phenoxy]methyl]-3-fluorobenzamide
CID 65362266
4-[(4-bromo-2-fluorophenyl)methoxy]-3-fluoroaniline
CID 43381966
3-[(2-bromo-4-fluorophenoxy)methyl]-4-fluorobenzamide
CID 24704635
3-fluoro-4-[[2-(methylaminomethyl)phenoxy]methyl]benzamide
CID 106484635
5-amino-2-[(2-bromo-5-fluorophenyl)methoxy]benzamide
CID 106956029
4-[(5-amino-2-methoxyphenoxy)methyl]-3-chlorobenzamide
CID 102663136
4-[(4-amino-3-chlorophenoxy)methyl]-3-fluorobenzamide
CID 62111611

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-2-bromophenoxy)methyl]-3-fluorobenzamide?
The IUPAC name of 4-[(5-amino-2-bromophenoxy)methyl]-3-fluorobenzamide (CID 103009131) is 4-[(5-amino-2-bromophenoxy)methyl]-3-fluorobenzamide.
What is the SMILES notation for 4-[(5-amino-2-bromophenoxy)methyl]-3-fluorobenzamide?
The canonical SMILES for 4-[(5-amino-2-bromophenoxy)methyl]-3-fluorobenzamide is NC(=O)c1ccc(COc2cc(N)ccc2Br)c(F)c1.
What is the InChIKey of 4-[(5-amino-2-bromophenoxy)methyl]-3-fluorobenzamide?
The InChIKey is SVSKJARESXYPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c15-11-4-3-10(17)6-13(11)20-7-9-2-1-8(14(18)19)5-12(9)16/h1-6H,7,17H2,(H2,18,19).
What are the key properties of 4-[(5-amino-2-bromophenoxy)methyl]-3-fluorobenzamide?
4-[(5-amino-2-bromophenoxy)methyl]-3-fluorobenzamide has a molecular weight of 339.16 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-2-bromophenoxy)methyl]-3-fluorobenzamide is sourced from PubChem (CID 103009131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).