N-(2-amino-4,6-dibromophenyl)-2-fluoro-6-methoxybenzamide

C14H11Br2FN2O2 — CID 65433208

IUPACN-(2-amino-4,6-dibromophenyl)-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)Nc1c(N)cc(Br)cc1Br
InChIInChI=1S/C14H11Br2FN2O2/c1-21-11-4-2-3-9(17)12(11)14(20)19-13-8(16)5-7(15)6-10(13)18/h2-6H,18H2,1H3,(H,19,20)
InChIKeySPKZQGHSEOOPCL-UHFFFAOYSA-N
MW418.06 g/mol
LogP4.19
Rot. Bonds3

About N-(2-amino-4,6-dibromophenyl)-2-fluoro-6-methoxybenzamide

N-(2-amino-4,6-dibromophenyl)-2-fluoro-6-methoxybenzamide (PubChem CID 65433208) has the molecular formula C14H11Br2FN2O2 and a molecular weight of 418.06 g/mol. Its IUPAC name is N-(2-amino-4,6-dibromophenyl)-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dibromophenyl)-2-fluoro-6-methoxybenzamide
PubChem CID65433208
Molecular FormulaC14H11Br2FN2O2
Molecular Weight418.06 g/mol
Exact Mass415.92
IUPAC NameN-(2-amino-4,6-dibromophenyl)-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)Nc1c(N)cc(Br)cc1Br
InChIInChI=1S/C14H11Br2FN2O2/c1-21-11-4-2-3-9(17)12(11)14(20)19-13-8(16)5-7(15)6-10(13)18/h2-6H,18H2,1H3,(H,19,20)
InChIKeySPKZQGHSEOOPCL-UHFFFAOYSA-N
XLogP4.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.06
LogP ≤ 54.19
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

N-(2-amino-4,6-dibromophenyl)-2-methoxy-5-methylbenzamide
CID 62504201
N-(2-bromo-5-fluorophenyl)-2-fluoro-6-methoxybenzamide
CID 103756076
N-(2-amino-4,6-dibromophenyl)-3-methoxythiophene-2-carboxamide
CID 81116987
N-(2-bromophenyl)-2-fluoro-6-methoxybenzamide
CID 65432090
N-(2-bromo-5-chlorophenyl)-2-fluoro-6-methoxybenzamide
CID 81272722
N-(4-bromo-2-methylphenyl)-2-fluoro-6-methoxybenzamide
CID 65434983
N-(2-amino-4,6-dibromophenyl)-5-fluoro-2-methylbenzamide
CID 63047885
N-(4-bromo-2,6-difluorophenyl)-2,6-difluorobenzamide
CID 2197858
N-(4-bromo-2-ethylphenyl)-2-fluoro-6-methoxybenzamide
CID 81287800
N-(4-amino-3-methoxyphenyl)-2,6-difluorobenzamide
CID 61240247
N-(2-amino-4,6-dibromophenyl)benzamide
CID 43548444
N-(2,6-dibromo-4-methylphenyl)-2,6-difluorobenzamide
CID 4116047

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dibromophenyl)-2-fluoro-6-methoxybenzamide?
The IUPAC name of N-(2-amino-4,6-dibromophenyl)-2-fluoro-6-methoxybenzamide (CID 65433208) is N-(2-amino-4,6-dibromophenyl)-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for N-(2-amino-4,6-dibromophenyl)-2-fluoro-6-methoxybenzamide?
The canonical SMILES for N-(2-amino-4,6-dibromophenyl)-2-fluoro-6-methoxybenzamide is COc1cccc(F)c1C(=O)Nc1c(N)cc(Br)cc1Br.
What is the InChIKey of N-(2-amino-4,6-dibromophenyl)-2-fluoro-6-methoxybenzamide?
The InChIKey is SPKZQGHSEOOPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2FN2O2/c1-21-11-4-2-3-9(17)12(11)14(20)19-13-8(16)5-7(15)6-10(13)18/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of N-(2-amino-4,6-dibromophenyl)-2-fluoro-6-methoxybenzamide?
N-(2-amino-4,6-dibromophenyl)-2-fluoro-6-methoxybenzamide has a molecular weight of 418.06 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dibromophenyl)-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 65433208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).