2-amino-5-[(3-bromophenyl)methoxy]-4-fluorobenzamide

C14H12BrFN2O2 — CID 82831786

IUPAC2-amino-5-[(3-bromophenyl)methoxy]-4-fluorobenzamide
SMILESNC(=O)c1cc(OCc2cccc(Br)c2)c(F)cc1N
InChIInChI=1S/C14H12BrFN2O2/c15-9-3-1-2-8(4-9)7-20-13-5-10(14(18)19)12(17)6-11(13)16/h1-6H,7,17H2,(H2,18,19)
InChIKeyHTBWRNWGGSEXRY-UHFFFAOYSA-N
MW339.16 g/mol
LogP2.85
Rot. Bonds4

About 2-amino-5-[(3-bromophenyl)methoxy]-4-fluorobenzamide

2-amino-5-[(3-bromophenyl)methoxy]-4-fluorobenzamide (PubChem CID 82831786) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is 2-amino-5-[(3-bromophenyl)methoxy]-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-5-[(3-bromophenyl)methoxy]-4-fluorobenzamide
PubChem CID82831786
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name2-amino-5-[(3-bromophenyl)methoxy]-4-fluorobenzamide
SMILESNC(=O)c1cc(OCc2cccc(Br)c2)c(F)cc1N
InChIInChI=1S/C14H12BrFN2O2/c15-9-3-1-2-8(4-9)7-20-13-5-10(14(18)19)12(17)6-11(13)16/h1-6H,7,17H2,(H2,18,19)
InChIKeyHTBWRNWGGSEXRY-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

5-bromo-2-[(3-bromophenyl)methoxy]benzamide
CID 91683518
3-[(5-bromo-2-fluorophenoxy)methyl]benzamide
CID 115918400
2-amino-5-(3-bromophenyl)sulfanyl-4-fluorobenzamide
CID 62803191
1-[(3-bromophenyl)methoxy]-2,4-difluorobenzene
CID 60731007
methyl 5-amino-2-[(3-bromophenyl)methoxy]benzoate
CID 82831709
1-[(3-bromophenyl)methoxy]-2,3-difluorobenzene
CID 55145542
4-[(3-bromophenyl)methoxy]-3-chlorobenzamide
CID 91683338
4-[(3-bromophenyl)methoxy]benzamide
CID 26051380
2-[(3-bromophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24709005
4-[(3-bromophenyl)methoxy]-2-fluorobenzoic acid
CID 113437320
2-[(3-bromophenyl)methoxy]-N-methoxybenzamide
CID 33104537
5-amino-2-[(3-bromo-5-fluorophenyl)methoxy]benzamide
CID 106956179

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(3-bromophenyl)methoxy]-4-fluorobenzamide?
The IUPAC name of 2-amino-5-[(3-bromophenyl)methoxy]-4-fluorobenzamide (CID 82831786) is 2-amino-5-[(3-bromophenyl)methoxy]-4-fluorobenzamide.
What is the SMILES notation for 2-amino-5-[(3-bromophenyl)methoxy]-4-fluorobenzamide?
The canonical SMILES for 2-amino-5-[(3-bromophenyl)methoxy]-4-fluorobenzamide is NC(=O)c1cc(OCc2cccc(Br)c2)c(F)cc1N.
What is the InChIKey of 2-amino-5-[(3-bromophenyl)methoxy]-4-fluorobenzamide?
The InChIKey is HTBWRNWGGSEXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c15-9-3-1-2-8(4-9)7-20-13-5-10(14(18)19)12(17)6-11(13)16/h1-6H,7,17H2,(H2,18,19).
What are the key properties of 2-amino-5-[(3-bromophenyl)methoxy]-4-fluorobenzamide?
2-amino-5-[(3-bromophenyl)methoxy]-4-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 2-amino-5-[(3-bromophenyl)methoxy]-4-fluorobenzamide is sourced from PubChem (CID 82831786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).