3-amino-N-(2-bromo-5-methoxyphenyl)-2,6-difluorobenzamide

C14H11BrF2N2O2 — CID 79757944

IUPAC3-amino-N-(2-bromo-5-methoxyphenyl)-2,6-difluorobenzamide
SMILESCOc1ccc(Br)c(NC(=O)c2c(F)ccc(N)c2F)c1
InChIInChI=1S/C14H11BrF2N2O2/c1-21-7-2-3-8(15)11(6-7)19-14(20)12-9(16)4-5-10(18)13(12)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyFJXJBMCNUUJNJK-UHFFFAOYSA-N
MW357.15 g/mol
LogP3.57
Rot. Bonds3

About 3-amino-N-(2-bromo-5-methoxyphenyl)-2,6-difluorobenzamide

3-amino-N-(2-bromo-5-methoxyphenyl)-2,6-difluorobenzamide (PubChem CID 79757944) has the molecular formula C14H11BrF2N2O2 and a molecular weight of 357.15 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-5-methoxyphenyl)-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-5-methoxyphenyl)-2,6-difluorobenzamide
PubChem CID79757944
Molecular FormulaC14H11BrF2N2O2
Molecular Weight357.15 g/mol
Exact Mass356.00
IUPAC Name3-amino-N-(2-bromo-5-methoxyphenyl)-2,6-difluorobenzamide
SMILESCOc1ccc(Br)c(NC(=O)c2c(F)ccc(N)c2F)c1
InChIInChI=1S/C14H11BrF2N2O2/c1-21-7-2-3-8(15)11(6-7)19-14(20)12-9(16)4-5-10(18)13(12)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyFJXJBMCNUUJNJK-UHFFFAOYSA-N
XLogP3.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 53.57
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-6-fluoro-N-(2-fluoro-5-methoxyphenyl)benzamide
CID 115687168
5-amino-N-(2-bromo-5-methoxyphenyl)-2-fluoro-3-methylbenzamide
CID 103296580
N-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide
CID 62416430
2-amino-N-(2,5-dibromophenyl)-4-methoxybenzamide
CID 115412703
N-(2-bromo-5-chlorophenyl)-2-fluoro-6-methoxybenzamide
CID 81272722
2-amino-N-(2-bromo-4-fluorophenyl)-5-methoxybenzamide
CID 60954882
N-(2-bromo-5-fluorophenyl)-2-fluoro-6-methoxybenzamide
CID 103756076
N-(2-bromo-5-methoxyphenyl)-5-ethylfuran-2-carboxamide
CID 78989438
N-(2-bromo-5-chlorophenyl)-4-methoxybenzamide
CID 81271849
N-(2-amino-5-methoxyphenyl)-3-fluorobenzamide
CID 63258141
5-amino-N-(2-bromo-5-methoxyphenyl)-2,3-dichlorobenzamide
CID 107185397
N-(2-bromo-5-methoxyphenyl)-2-iodobenzamide
CID 62416238

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-5-methoxyphenyl)-2,6-difluorobenzamide?
The IUPAC name of 3-amino-N-(2-bromo-5-methoxyphenyl)-2,6-difluorobenzamide (CID 79757944) is 3-amino-N-(2-bromo-5-methoxyphenyl)-2,6-difluorobenzamide.
What is the SMILES notation for 3-amino-N-(2-bromo-5-methoxyphenyl)-2,6-difluorobenzamide?
The canonical SMILES for 3-amino-N-(2-bromo-5-methoxyphenyl)-2,6-difluorobenzamide is COc1ccc(Br)c(NC(=O)c2c(F)ccc(N)c2F)c1.
What is the InChIKey of 3-amino-N-(2-bromo-5-methoxyphenyl)-2,6-difluorobenzamide?
The InChIKey is FJXJBMCNUUJNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O2/c1-21-7-2-3-8(15)11(6-7)19-14(20)12-9(16)4-5-10(18)13(12)17/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-(2-bromo-5-methoxyphenyl)-2,6-difluorobenzamide?
3-amino-N-(2-bromo-5-methoxyphenyl)-2,6-difluorobenzamide has a molecular weight of 357.15 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromo-5-methoxyphenyl)-2,6-difluorobenzamide is sourced from PubChem (CID 79757944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).