N-(2-amino-4,6-dibromophenyl)-5-fluoro-2-methylbenzamide

C14H11Br2FN2O — CID 63047885

IUPACN-(2-amino-4,6-dibromophenyl)-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)Nc1c(N)cc(Br)cc1Br
InChIInChI=1S/C14H11Br2FN2O/c1-7-2-3-9(17)6-10(7)14(20)19-13-11(16)4-8(15)5-12(13)18/h2-6H,18H2,1H3,(H,19,20)
InChIKeyZVWVMYBVJKGBNI-UHFFFAOYSA-N
MW402.06 g/mol
LogP4.49
Rot. Bonds2

About N-(2-amino-4,6-dibromophenyl)-5-fluoro-2-methylbenzamide

N-(2-amino-4,6-dibromophenyl)-5-fluoro-2-methylbenzamide (PubChem CID 63047885) has the molecular formula C14H11Br2FN2O and a molecular weight of 402.06 g/mol. Its IUPAC name is N-(2-amino-4,6-dibromophenyl)-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dibromophenyl)-5-fluoro-2-methylbenzamide
PubChem CID63047885
Molecular FormulaC14H11Br2FN2O
Molecular Weight402.06 g/mol
Exact Mass399.92
IUPAC NameN-(2-amino-4,6-dibromophenyl)-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)Nc1c(N)cc(Br)cc1Br
InChIInChI=1S/C14H11Br2FN2O/c1-7-2-3-9(17)6-10(7)14(20)19-13-11(16)4-8(15)5-12(13)18/h2-6H,18H2,1H3,(H,19,20)
InChIKeyZVWVMYBVJKGBNI-UHFFFAOYSA-N
XLogP4.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.06
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzamide
CID 43549968
2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzamide
CID 43132657
N-(2-amino-4,6-dibromophenyl)-4-hydroxy-2-methylbenzamide
CID 107670590
N-(2-amino-6-bromo-4-methylphenyl)-2-chloro-4-fluorobenzamide
CID 116813593
N-(2-amino-4,6-dibromophenyl)-2-methylsulfanylbenzamide
CID 79215660
2-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-fluorobenzamide
CID 28520538
N-(2-amino-4-bromo-6-methylphenyl)-4-chloro-2-fluorobenzamide
CID 43549986
N-(2-amino-4,6-dibromophenyl)-2-methoxy-5-methylbenzamide
CID 62504201
N-(4-bromo-2-methylphenyl)-5-fluoro-2-methylbenzamide
CID 60705568
3-amino-5-bromo-N-(4-fluorophenyl)-2-methylbenzamide
CID 107872023
3-amino-5-bromo-N-(2,4-difluorophenyl)-2-methylbenzamide
CID 107872035
N-(2-amino-4,6-dibromophenyl)-2-fluoro-6-methoxybenzamide
CID 65433208

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dibromophenyl)-5-fluoro-2-methylbenzamide?
The IUPAC name of N-(2-amino-4,6-dibromophenyl)-5-fluoro-2-methylbenzamide (CID 63047885) is N-(2-amino-4,6-dibromophenyl)-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-(2-amino-4,6-dibromophenyl)-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-(2-amino-4,6-dibromophenyl)-5-fluoro-2-methylbenzamide is Cc1ccc(F)cc1C(=O)Nc1c(N)cc(Br)cc1Br.
What is the InChIKey of N-(2-amino-4,6-dibromophenyl)-5-fluoro-2-methylbenzamide?
The InChIKey is ZVWVMYBVJKGBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2FN2O/c1-7-2-3-9(17)6-10(7)14(20)19-13-11(16)4-8(15)5-12(13)18/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of N-(2-amino-4,6-dibromophenyl)-5-fluoro-2-methylbenzamide?
N-(2-amino-4,6-dibromophenyl)-5-fluoro-2-methylbenzamide has a molecular weight of 402.06 g/mol, XLogP of 4.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dibromophenyl)-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 63047885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).