3-amino-2-[(2-bromo-4-fluorophenyl)methoxy]benzamide

C14H12BrFN2O2 — CID 107873441

IUPAC3-amino-2-[(2-bromo-4-fluorophenyl)methoxy]benzamide
SMILESNC(=O)c1cccc(N)c1OCc1ccc(F)cc1Br
InChIInChI=1S/C14H12BrFN2O2/c15-11-6-9(16)5-4-8(11)7-20-13-10(14(18)19)2-1-3-12(13)17/h1-6H,7,17H2,(H2,18,19)
InChIKeyBDFDJEYGJYWUSB-UHFFFAOYSA-N
MW339.16 g/mol
LogP2.85
Rot. Bonds4

About 3-amino-2-[(2-bromo-4-fluorophenyl)methoxy]benzamide

3-amino-2-[(2-bromo-4-fluorophenyl)methoxy]benzamide (PubChem CID 107873441) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is 3-amino-2-[(2-bromo-4-fluorophenyl)methoxy]benzamide.

Molecular Properties

Compound Name3-amino-2-[(2-bromo-4-fluorophenyl)methoxy]benzamide
PubChem CID107873441
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name3-amino-2-[(2-bromo-4-fluorophenyl)methoxy]benzamide
SMILESNC(=O)c1cccc(N)c1OCc1ccc(F)cc1Br
InChIInChI=1S/C14H12BrFN2O2/c15-11-6-9(16)5-4-8(11)7-20-13-10(14(18)19)2-1-3-12(13)17/h1-6H,7,17H2,(H2,18,19)
InChIKeyBDFDJEYGJYWUSB-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

(2-bromo-4-fluorophenyl)methyl 2-aminobenzoate
CID 60730709
3-amino-2-(2-bromo-5-fluorophenoxy)benzamide
CID 112579924
2-[(2-bromo-4-fluorophenyl)methoxy]-3-chlorobenzoic acid
CID 115955941
2-bromo-1-[(2,6-difluorophenoxy)methyl]-4-fluorobenzene
CID 113220141
2-[(2-bromo-4-fluorophenoxy)methyl]benzamide
CID 24710640
2-[(2-amino-5-fluorophenyl)methoxy]benzamide
CID 43443894
2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24692111
5-amino-2-[(2-bromo-4-fluorophenyl)methoxy]benzoic acid
CID 43379973
1-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-3-(bromomethyl)benzene
CID 63535034
3-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]aniline
CID 102615065
3-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]benzaldehyde
CID 55222594
[2-[(2-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]methanol
CID 112612374

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(2-bromo-4-fluorophenyl)methoxy]benzamide?
The IUPAC name of 3-amino-2-[(2-bromo-4-fluorophenyl)methoxy]benzamide (CID 107873441) is 3-amino-2-[(2-bromo-4-fluorophenyl)methoxy]benzamide.
What is the SMILES notation for 3-amino-2-[(2-bromo-4-fluorophenyl)methoxy]benzamide?
The canonical SMILES for 3-amino-2-[(2-bromo-4-fluorophenyl)methoxy]benzamide is NC(=O)c1cccc(N)c1OCc1ccc(F)cc1Br.
What is the InChIKey of 3-amino-2-[(2-bromo-4-fluorophenyl)methoxy]benzamide?
The InChIKey is BDFDJEYGJYWUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c15-11-6-9(16)5-4-8(11)7-20-13-10(14(18)19)2-1-3-12(13)17/h1-6H,7,17H2,(H2,18,19).
What are the key properties of 3-amino-2-[(2-bromo-4-fluorophenyl)methoxy]benzamide?
3-amino-2-[(2-bromo-4-fluorophenyl)methoxy]benzamide 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 3-amino-2-[(2-bromo-4-fluorophenyl)methoxy]benzamide is sourced from PubChem (CID 107873441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).