5-amino-2-bromo-N-(2-chloro-4-fluorophenyl)-4-fluorobenzamide

C13H8BrClF2N2O — CID 62815766

IUPAC5-amino-2-bromo-N-(2-chloro-4-fluorophenyl)-4-fluorobenzamide
SMILESNc1cc(C(=O)Nc2ccc(F)cc2Cl)c(Br)cc1F
InChIInChI=1S/C13H8BrClF2N2O/c14-8-5-10(17)11(18)4-7(8)13(20)19-12-2-1-6(16)3-9(12)15/h1-5H,18H2,(H,19,20)
InChIKeyZHJFJFKPPGZRQY-UHFFFAOYSA-N
MW361.57 g/mol
LogP4.22
Rot. Bonds2

About 5-amino-2-bromo-N-(2-chloro-4-fluorophenyl)-4-fluorobenzamide

5-amino-2-bromo-N-(2-chloro-4-fluorophenyl)-4-fluorobenzamide (PubChem CID 62815766) has the molecular formula C13H8BrClF2N2O and a molecular weight of 361.57 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(2-chloro-4-fluorophenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(2-chloro-4-fluorophenyl)-4-fluorobenzamide
PubChem CID62815766
Molecular FormulaC13H8BrClF2N2O
Molecular Weight361.57 g/mol
Exact Mass359.95
IUPAC Name5-amino-2-bromo-N-(2-chloro-4-fluorophenyl)-4-fluorobenzamide
SMILESNc1cc(C(=O)Nc2ccc(F)cc2Cl)c(Br)cc1F
InChIInChI=1S/C13H8BrClF2N2O/c14-8-5-10(17)11(18)4-7(8)13(20)19-12-2-1-6(16)3-9(12)15/h1-5H,18H2,(H,19,20)
InChIKeyZHJFJFKPPGZRQY-UHFFFAOYSA-N
XLogP4.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.57
LogP ≤ 54.22
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-bromo-N-(2,4-dichlorophenyl)-4-fluorobenzamide
CID 27666994
2-bromo-N-(2-chloro-4-fluorophenyl)-5-iodobenzamide
CID 114027522
2-amino-N-(2-chloro-4-fluorophenyl)-5-hydroxybenzamide
CID 107073989
5-amino-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-4-fluorobenzamide
CID 104722210
5-amino-2-chloro-N-(2-chloro-4-fluorophenyl)benzamide
CID 29079625
5-amino-2-bromo-N-(5-bromo-2-fluorophenyl)-4-fluorobenzamide
CID 62814551
5-amino-2-bromo-N-(3,5-dichloro-4-fluorophenyl)-4-fluorobenzamide
CID 107571202
5-amino-2-bromo-N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide
CID 62815588
2-bromo-N-(2-chloro-4-iodophenyl)-5-fluorobenzamide
CID 47183268
5-amino-2-bromo-N-(3-chloro-2-pyridinyl)-4-fluorobenzamide
CID 103093873
5-amino-N-(2-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 103295873
N-(2-amino-4-fluorophenyl)-3-chloro-2-fluorobenzamide
CID 81265128

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(2-chloro-4-fluorophenyl)-4-fluorobenzamide?
The IUPAC name of 5-amino-2-bromo-N-(2-chloro-4-fluorophenyl)-4-fluorobenzamide (CID 62815766) is 5-amino-2-bromo-N-(2-chloro-4-fluorophenyl)-4-fluorobenzamide.
What is the SMILES notation for 5-amino-2-bromo-N-(2-chloro-4-fluorophenyl)-4-fluorobenzamide?
The canonical SMILES for 5-amino-2-bromo-N-(2-chloro-4-fluorophenyl)-4-fluorobenzamide is Nc1cc(C(=O)Nc2ccc(F)cc2Cl)c(Br)cc1F.
What is the InChIKey of 5-amino-2-bromo-N-(2-chloro-4-fluorophenyl)-4-fluorobenzamide?
The InChIKey is ZHJFJFKPPGZRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClF2N2O/c14-8-5-10(17)11(18)4-7(8)13(20)19-12-2-1-6(16)3-9(12)15/h1-5H,18H2,(H,19,20).
What are the key properties of 5-amino-2-bromo-N-(2-chloro-4-fluorophenyl)-4-fluorobenzamide?
5-amino-2-bromo-N-(2-chloro-4-fluorophenyl)-4-fluorobenzamide has a molecular weight of 361.57 g/mol, XLogP of 4.22, 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-(2-chloro-4-fluorophenyl)-4-fluorobenzamide is sourced from PubChem (CID 62815766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).