2,4-diamino-N-(4-bromo-2,6-difluorophenyl)benzamide

C13H10BrF2N3O — CID 65469243

IUPAC2,4-diamino-N-(4-bromo-2,6-difluorophenyl)benzamide
SMILESNc1ccc(C(=O)Nc2c(F)cc(Br)cc2F)c(N)c1
InChIInChI=1S/C13H10BrF2N3O/c14-6-3-9(15)12(10(16)4-6)19-13(20)8-2-1-7(17)5-11(8)18/h1-5H,17-18H2,(H,19,20)
InChIKeyDUSYJHOJKKHSNZ-UHFFFAOYSA-N
MW342.14 g/mol
LogP3.14
Rot. Bonds2

About 2,4-diamino-N-(4-bromo-2,6-difluorophenyl)benzamide

2,4-diamino-N-(4-bromo-2,6-difluorophenyl)benzamide (PubChem CID 65469243) has the molecular formula C13H10BrF2N3O and a molecular weight of 342.14 g/mol. Its IUPAC name is 2,4-diamino-N-(4-bromo-2,6-difluorophenyl)benzamide.

Molecular Properties

Compound Name2,4-diamino-N-(4-bromo-2,6-difluorophenyl)benzamide
PubChem CID65469243
Molecular FormulaC13H10BrF2N3O
Molecular Weight342.14 g/mol
Exact Mass341.00
IUPAC Name2,4-diamino-N-(4-bromo-2,6-difluorophenyl)benzamide
SMILESNc1ccc(C(=O)Nc2c(F)cc(Br)cc2F)c(N)c1
InChIInChI=1S/C13H10BrF2N3O/c14-6-3-9(15)12(10(16)4-6)19-13(20)8-2-1-7(17)5-11(8)18/h1-5H,17-18H2,(H,19,20)
InChIKeyDUSYJHOJKKHSNZ-UHFFFAOYSA-N
XLogP3.14
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-diamino-N-(2,6-dibromophenyl)benzamide
CID 107596119
4-amino-N-(4-bromo-2,6-difluorophenyl)pyridine-3-carboxamide
CID 81245018
N-(4-bromo-2,6-difluorophenyl)-2,3,4-trifluorobenzamide
CID 79754685
3-amino-N-(4-bromo-2,6-difluorophenyl)-2,5-difluorobenzamide
CID 107121169
3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methylbenzamide
CID 65469438
2,4-diamino-N-(2,4,6-trichlorophenyl)benzamide
CID 61093960
N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzamide
CID 65470097
2-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzamide
CID 63109685
N-(4-bromo-2,6-difluorophenyl)-2,3-difluorobenzamide
CID 65469148
2-[(4-bromo-2,6-difluorophenyl)carbamoyl]benzoic acid
CID 65470052
4-amino-N-(3-bromo-5-methylphenyl)-2-fluorobenzamide
CID 107581615
4-amino-N-(2-bromo-4,6-difluorophenyl)-2-chlorobenzamide
CID 43168230

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-(4-bromo-2,6-difluorophenyl)benzamide?
The IUPAC name of 2,4-diamino-N-(4-bromo-2,6-difluorophenyl)benzamide (CID 65469243) is 2,4-diamino-N-(4-bromo-2,6-difluorophenyl)benzamide.
What is the SMILES notation for 2,4-diamino-N-(4-bromo-2,6-difluorophenyl)benzamide?
The canonical SMILES for 2,4-diamino-N-(4-bromo-2,6-difluorophenyl)benzamide is Nc1ccc(C(=O)Nc2c(F)cc(Br)cc2F)c(N)c1.
What is the InChIKey of 2,4-diamino-N-(4-bromo-2,6-difluorophenyl)benzamide?
The InChIKey is DUSYJHOJKKHSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2N3O/c14-6-3-9(15)12(10(16)4-6)19-13(20)8-2-1-7(17)5-11(8)18/h1-5H,17-18H2,(H,19,20).
What are the key properties of 2,4-diamino-N-(4-bromo-2,6-difluorophenyl)benzamide?
2,4-diamino-N-(4-bromo-2,6-difluorophenyl)benzamide has a molecular weight of 342.14 g/mol, XLogP of 3.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-(4-bromo-2,6-difluorophenyl)benzamide is sourced from PubChem (CID 65469243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).