5-amino-2-bromo-N-(3,5-dichloro-4-fluorophenyl)-4-fluorobenzamide

C13H7BrCl2F2N2O — CID 107571202

IUPAC5-amino-2-bromo-N-(3,5-dichloro-4-fluorophenyl)-4-fluorobenzamide
SMILESNc1cc(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)c(Br)cc1F
InChIInChI=1S/C13H7BrCl2F2N2O/c14-7-4-10(17)11(19)3-6(7)13(21)20-5-1-8(15)12(18)9(16)2-5/h1-4H,19H2,(H,20,21)
InChIKeyZUFBYMVVNFKIPJ-UHFFFAOYSA-N
MW396.02 g/mol
LogP4.87
Rot. Bonds2

About 5-amino-2-bromo-N-(3,5-dichloro-4-fluorophenyl)-4-fluorobenzamide

5-amino-2-bromo-N-(3,5-dichloro-4-fluorophenyl)-4-fluorobenzamide (PubChem CID 107571202) has the molecular formula C13H7BrCl2F2N2O and a molecular weight of 396.02 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(3,5-dichloro-4-fluorophenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(3,5-dichloro-4-fluorophenyl)-4-fluorobenzamide
PubChem CID107571202
Molecular FormulaC13H7BrCl2F2N2O
Molecular Weight396.02 g/mol
Exact Mass393.91
IUPAC Name5-amino-2-bromo-N-(3,5-dichloro-4-fluorophenyl)-4-fluorobenzamide
SMILESNc1cc(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)c(Br)cc1F
InChIInChI=1S/C13H7BrCl2F2N2O/c14-7-4-10(17)11(19)3-6(7)13(21)20-5-1-8(15)12(18)9(16)2-5/h1-4H,19H2,(H,20,21)
InChIKeyZUFBYMVVNFKIPJ-UHFFFAOYSA-N
XLogP4.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.02
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-bromo-N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide
CID 62815588
5-amino-2-bromo-N-(2-chloro-4-fluorophenyl)-4-fluorobenzamide
CID 62815766
2-amino-4-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
CID 107571179
5-amino-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-4-fluorobenzamide
CID 104722210
5-amino-2-bromo-N-(3-chloro-2-pyridinyl)-4-fluorobenzamide
CID 103093873
4-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide
CID 107578409
5-amino-2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 62816464
5-amino-2-bromo-N-(2,6-dibromo-4-methylphenyl)-4-fluorobenzamide
CID 62815412
5-amino-2-bromo-4-fluoro-N-(3-methylsulfanylphenyl)benzamide
CID 62816107
5-amino-2-bromo-N-(5-bromo-2-fluorophenyl)-4-fluorobenzamide
CID 62814551
2-amino-N-(3,5-dichloro-4-fluorophenyl)-4-methylbenzamide
CID 107578408
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-(3,5-dichloro-4-fluorophenyl)-4-fluorobenzamide?
The IUPAC name of 5-amino-2-bromo-N-(3,5-dichloro-4-fluorophenyl)-4-fluorobenzamide (CID 107571202) is 5-amino-2-bromo-N-(3,5-dichloro-4-fluorophenyl)-4-fluorobenzamide.
What is the SMILES notation for 5-amino-2-bromo-N-(3,5-dichloro-4-fluorophenyl)-4-fluorobenzamide?
The canonical SMILES for 5-amino-2-bromo-N-(3,5-dichloro-4-fluorophenyl)-4-fluorobenzamide is Nc1cc(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)c(Br)cc1F.
What is the InChIKey of 5-amino-2-bromo-N-(3,5-dichloro-4-fluorophenyl)-4-fluorobenzamide?
The InChIKey is ZUFBYMVVNFKIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2F2N2O/c14-7-4-10(17)11(19)3-6(7)13(21)20-5-1-8(15)12(18)9(16)2-5/h1-4H,19H2,(H,20,21).
What are the key properties of 5-amino-2-bromo-N-(3,5-dichloro-4-fluorophenyl)-4-fluorobenzamide?
5-amino-2-bromo-N-(3,5-dichloro-4-fluorophenyl)-4-fluorobenzamide has a molecular weight of 396.02 g/mol, XLogP of 4.87, 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-(3,5-dichloro-4-fluorophenyl)-4-fluorobenzamide is sourced from PubChem (CID 107571202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).