N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzamide

C14H11BrF2N2O — CID 43549968

IUPACN-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzamide
SMILESCc1cc(Br)cc(N)c1NC(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H11BrF2N2O/c1-7-4-8(15)5-12(18)13(7)19-14(20)10-6-9(16)2-3-11(10)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyDFXOGUFPSYBAJF-UHFFFAOYSA-N
MW341.16 g/mol
LogP3.87
Rot. Bonds2

About N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzamide

N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzamide (PubChem CID 43549968) has the molecular formula C14H11BrF2N2O and a molecular weight of 341.16 g/mol. Its IUPAC name is N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzamide
PubChem CID43549968
Molecular FormulaC14H11BrF2N2O
Molecular Weight341.16 g/mol
Exact Mass340.00
IUPAC NameN-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzamide
SMILESCc1cc(Br)cc(N)c1NC(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H11BrF2N2O/c1-7-4-8(15)5-12(18)13(7)19-14(20)10-6-9(16)2-3-11(10)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyDFXOGUFPSYBAJF-UHFFFAOYSA-N
XLogP3.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 53.87
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

2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzamide
CID 43132657
N-(2-amino-4-bromo-6-methylphenyl)-4-chloro-2-fluorobenzamide
CID 43549986
N-(2-amino-4,6-dibromophenyl)-5-fluoro-2-methylbenzamide
CID 63047885
N-(2-amino-4-bromo-6-methylphenyl)-2,4-dichlorobenzamide
CID 43549936
N-(2-amino-4-bromo-6-methylphenyl)-3-fluoro-4-methylbenzamide
CID 43550039
2-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-fluorobenzamide
CID 28520538
N-(2-amino-4,5-dimethylphenyl)-2,5-difluorobenzamide
CID 62100127
N-(2-amino-4-bromo-6-methylphenyl)-2-hydroxy-5-methylbenzamide
CID 43549991
N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzenesulfonamide
CID 43550987
3-amino-5-bromo-N-(2,4-difluorophenyl)-2-methylbenzamide
CID 107872035
N-(6-amino-2,3-dimethylphenyl)-5-bromo-2-fluorobenzamide
CID 43548023
N-(2-amino-4-bromo-6-methylphenyl)-2-methoxy-5-methylbenzamide
CID 62504551

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzamide?
The IUPAC name of N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzamide (CID 43549968) is N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzamide.
What is the SMILES notation for N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzamide?
The canonical SMILES for N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzamide is Cc1cc(Br)cc(N)c1NC(=O)c1cc(F)ccc1F.
What is the InChIKey of N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzamide?
The InChIKey is DFXOGUFPSYBAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O/c1-7-4-8(15)5-12(18)13(7)19-14(20)10-6-9(16)2-3-11(10)17/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzamide?
N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzamide has a molecular weight of 341.16 g/mol, XLogP of 3.87, 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-bromo-6-methylphenyl)-2,5-difluorobenzamide is sourced from PubChem (CID 43549968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).