5-amino-2-[(3-bromo-5-fluorophenyl)methoxy]benzamide

C14H12BrFN2O2 — CID 106956179

IUPAC5-amino-2-[(3-bromo-5-fluorophenyl)methoxy]benzamide
SMILESNC(=O)c1cc(N)ccc1OCc1cc(F)cc(Br)c1
InChIInChI=1S/C14H12BrFN2O2/c15-9-3-8(4-10(16)5-9)7-20-13-2-1-11(17)6-12(13)14(18)19/h1-6H,7,17H2,(H2,18,19)
InChIKeyYPFLVQYQRUYWKW-UHFFFAOYSA-N
MW339.16 g/mol
LogP2.85
Rot. Bonds4

About 5-amino-2-[(3-bromo-5-fluorophenyl)methoxy]benzamide

5-amino-2-[(3-bromo-5-fluorophenyl)methoxy]benzamide (PubChem CID 106956179) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is 5-amino-2-[(3-bromo-5-fluorophenyl)methoxy]benzamide.

Molecular Properties

Compound Name5-amino-2-[(3-bromo-5-fluorophenyl)methoxy]benzamide
PubChem CID106956179
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name5-amino-2-[(3-bromo-5-fluorophenyl)methoxy]benzamide
SMILESNC(=O)c1cc(N)ccc1OCc1cc(F)cc(Br)c1
InChIInChI=1S/C14H12BrFN2O2/c15-9-3-8(4-10(16)5-9)7-20-13-2-1-11(17)6-12(13)14(18)19/h1-6H,7,17H2,(H2,18,19)
InChIKeyYPFLVQYQRUYWKW-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-bromo-5-fluorophenyl)methoxy]benzenecarbothioamide
CID 83145817
4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloroaniline
CID 79705494
5-amino-2-[(2-bromo-5-fluorophenyl)methoxy]benzamide
CID 106956029
3-[(3-bromo-5-fluorophenyl)methoxy]-4-methylaniline
CID 79704583
4-[(3-bromo-5-fluorophenyl)methoxy]-3-prop-2-enylaniline
CID 79705061
(3-bromo-5-fluorophenyl)methyl 5-amino-2-methylbenzoate
CID 79708511
5-amino-2-[(3-bromo-2,6-difluorophenyl)methoxy]benzamide
CID 106264677
4-[(3-bromo-5-fluorophenyl)methoxy]-3-fluorobenzenecarbothioamide
CID 107665739
5-bromo-2-[(3-bromophenyl)methoxy]benzamide
CID 91683518
1-[4-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]ethanone
CID 102948099
3-bromo-4-[(3-bromo-5-fluorophenyl)methoxy]benzoic acid
CID 79706770
2-[(3-bromo-5-fluorophenyl)methoxy]benzenecarboximidamide
CID 79706034

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(3-bromo-5-fluorophenyl)methoxy]benzamide?
The IUPAC name of 5-amino-2-[(3-bromo-5-fluorophenyl)methoxy]benzamide (CID 106956179) is 5-amino-2-[(3-bromo-5-fluorophenyl)methoxy]benzamide.
What is the SMILES notation for 5-amino-2-[(3-bromo-5-fluorophenyl)methoxy]benzamide?
The canonical SMILES for 5-amino-2-[(3-bromo-5-fluorophenyl)methoxy]benzamide is NC(=O)c1cc(N)ccc1OCc1cc(F)cc(Br)c1.
What is the InChIKey of 5-amino-2-[(3-bromo-5-fluorophenyl)methoxy]benzamide?
The InChIKey is YPFLVQYQRUYWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c15-9-3-8(4-10(16)5-9)7-20-13-2-1-11(17)6-12(13)14(18)19/h1-6H,7,17H2,(H2,18,19).
What are the key properties of 5-amino-2-[(3-bromo-5-fluorophenyl)methoxy]benzamide?
5-amino-2-[(3-bromo-5-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 5-amino-2-[(3-bromo-5-fluorophenyl)methoxy]benzamide is sourced from PubChem (CID 106956179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).