5-amino-2-bromo-N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide

C13H7Br2Cl2FN2O — CID 62815588

IUPAC5-amino-2-bromo-N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide
SMILESNc1cc(C(=O)Nc2c(Cl)cc(Br)cc2Cl)c(Br)cc1F
InChIInChI=1S/C13H7Br2Cl2FN2O/c14-5-1-8(16)12(9(17)2-5)20-13(21)6-3-11(19)10(18)4-7(6)15/h1-4H,19H2,(H,20,21)
InChIKeyZWBSYBHMSFIDFM-UHFFFAOYSA-N
MW456.92 g/mol
LogP5.49
Rot. Bonds2

About 5-amino-2-bromo-N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide

5-amino-2-bromo-N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide (PubChem CID 62815588) has the molecular formula C13H7Br2Cl2FN2O and a molecular weight of 456.92 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide
PubChem CID62815588
Molecular FormulaC13H7Br2Cl2FN2O
Molecular Weight456.92 g/mol
Exact Mass453.83
IUPAC Name5-amino-2-bromo-N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide
SMILESNc1cc(C(=O)Nc2c(Cl)cc(Br)cc2Cl)c(Br)cc1F
InChIInChI=1S/C13H7Br2Cl2FN2O/c14-5-1-8(16)12(9(17)2-5)20-13(21)6-3-11(19)10(18)4-7(6)15/h1-4H,19H2,(H,20,21)
InChIKeyZWBSYBHMSFIDFM-UHFFFAOYSA-N
XLogP5.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.92
LogP ≤ 55.49
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

5-amino-2-bromo-N-(3,5-dichloro-4-fluorophenyl)-4-fluorobenzamide
CID 107571202
5-amino-2-bromo-N-(2,6-dibromo-4-methylphenyl)-4-fluorobenzamide
CID 62815412
3-amino-N-(4-bromo-2,6-dichlorophenyl)-2,5-difluorobenzamide
CID 107120471
5-amino-2-bromo-N-(2-chloro-4-fluorophenyl)-4-fluorobenzamide
CID 62815766
5-amino-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-4-fluorobenzamide
CID 104722210
N-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzamide
CID 60651805
5-amino-2-bromo-N-(5-bromo-2-fluorophenyl)-4-fluorobenzamide
CID 62814551
5-amino-2-bromo-N-(3-chloro-2-pyridinyl)-4-fluorobenzamide
CID 103093873
N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-4-hydroxybenzamide
CID 107676597
5-amino-N-(2-chloro-4,6-difluorophenyl)-2,4-difluorobenzamide
CID 83074413
N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-3-methylbenzamide
CID 81481515
5-amino-2-bromo-4-fluoro-N-(1H-pyrazol-5-yl)benzamide
CID 62815610

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide?
The IUPAC name of 5-amino-2-bromo-N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide (CID 62815588) is 5-amino-2-bromo-N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide.
What is the SMILES notation for 5-amino-2-bromo-N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide?
The canonical SMILES for 5-amino-2-bromo-N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide is Nc1cc(C(=O)Nc2c(Cl)cc(Br)cc2Cl)c(Br)cc1F.
What is the InChIKey of 5-amino-2-bromo-N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide?
The InChIKey is ZWBSYBHMSFIDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2Cl2FN2O/c14-5-1-8(16)12(9(17)2-5)20-13(21)6-3-11(19)10(18)4-7(6)15/h1-4H,19H2,(H,20,21).
What are the key properties of 5-amino-2-bromo-N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide?
5-amino-2-bromo-N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide has a molecular weight of 456.92 g/mol, XLogP of 5.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide is sourced from PubChem (CID 62815588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).