5-amino-2-[(3-bromo-2,6-difluorophenyl)methoxy]benzamide

C14H11BrF2N2O2 — CID 106264677

IUPAC5-amino-2-[(3-bromo-2,6-difluorophenyl)methoxy]benzamide
SMILESNC(=O)c1cc(N)ccc1OCc1c(F)ccc(Br)c1F
InChIInChI=1S/C14H11BrF2N2O2/c15-10-2-3-11(16)9(13(10)17)6-21-12-4-1-7(18)5-8(12)14(19)20/h1-5H,6,18H2,(H2,19,20)
InChIKeyLSLJGPDCMTZHDL-UHFFFAOYSA-N
MW357.15 g/mol
LogP2.99
Rot. Bonds4

About 5-amino-2-[(3-bromo-2,6-difluorophenyl)methoxy]benzamide

5-amino-2-[(3-bromo-2,6-difluorophenyl)methoxy]benzamide (PubChem CID 106264677) has the molecular formula C14H11BrF2N2O2 and a molecular weight of 357.15 g/mol. Its IUPAC name is 5-amino-2-[(3-bromo-2,6-difluorophenyl)methoxy]benzamide.

Molecular Properties

Compound Name5-amino-2-[(3-bromo-2,6-difluorophenyl)methoxy]benzamide
PubChem CID106264677
Molecular FormulaC14H11BrF2N2O2
Molecular Weight357.15 g/mol
Exact Mass356.00
IUPAC Name5-amino-2-[(3-bromo-2,6-difluorophenyl)methoxy]benzamide
SMILESNC(=O)c1cc(N)ccc1OCc1c(F)ccc(Br)c1F
InChIInChI=1S/C14H11BrF2N2O2/c15-10-2-3-11(16)9(13(10)17)6-21-12-4-1-7(18)5-8(12)14(19)20/h1-5H,6,18H2,(H2,19,20)
InChIKeyLSLJGPDCMTZHDL-UHFFFAOYSA-N
XLogP2.99
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-2,6-difluorophenyl)methyl 5-amino-2-bromobenzoate
CID 106269657
5-amino-2-[(2-bromo-5-fluorophenyl)methoxy]benzamide
CID 106956029
5-bromo-2-[(3-bromo-2,6-difluorophenyl)methoxy]benzenecarbothioamide
CID 106264053
5-amino-2-(3-bromo-4-fluorophenoxy)benzamide
CID 83234649
5-amino-2-[(3-bromo-5-fluorophenyl)methoxy]benzamide
CID 106956179
1-(5-amino-2-bromophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanone
CID 106272753
1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanone
CID 106264072
5-amino-2-[2-(4-bromophenoxy)ethoxy]benzamide
CID 106956131
5-amino-2-[(3-bromo-4-fluorophenyl)methoxy]benzoic acid
CID 43379961
[3-bromo-4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]methanamine
CID 106262966
5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,4-dimethylaniline
CID 106262856
2-[(3-bromo-2,6-difluorophenyl)methoxy]-4,5-dichloroaniline
CID 106262854

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(3-bromo-2,6-difluorophenyl)methoxy]benzamide?
The IUPAC name of 5-amino-2-[(3-bromo-2,6-difluorophenyl)methoxy]benzamide (CID 106264677) is 5-amino-2-[(3-bromo-2,6-difluorophenyl)methoxy]benzamide.
What is the SMILES notation for 5-amino-2-[(3-bromo-2,6-difluorophenyl)methoxy]benzamide?
The canonical SMILES for 5-amino-2-[(3-bromo-2,6-difluorophenyl)methoxy]benzamide is NC(=O)c1cc(N)ccc1OCc1c(F)ccc(Br)c1F.
What is the InChIKey of 5-amino-2-[(3-bromo-2,6-difluorophenyl)methoxy]benzamide?
The InChIKey is LSLJGPDCMTZHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O2/c15-10-2-3-11(16)9(13(10)17)6-21-12-4-1-7(18)5-8(12)14(19)20/h1-5H,6,18H2,(H2,19,20).
What are the key properties of 5-amino-2-[(3-bromo-2,6-difluorophenyl)methoxy]benzamide?
5-amino-2-[(3-bromo-2,6-difluorophenyl)methoxy]benzamide has a molecular weight of 357.15 g/mol, XLogP of 2.99, 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-2,6-difluorophenyl)methoxy]benzamide is sourced from PubChem (CID 106264677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).