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

C13H8BrCl2FN2O — CID 107624291

IUPAC3-amino-N-(2-bromo-5-fluorophenyl)-4,5-dichlorobenzamide
SMILESNc1cc(C(=O)Nc2cc(F)ccc2Br)cc(Cl)c1Cl
InChIInChI=1S/C13H8BrCl2FN2O/c14-8-2-1-7(17)5-11(8)19-13(20)6-3-9(15)12(16)10(18)4-6/h1-5H,18H2,(H,19,20)
InChIKeyAFKPVRNJQXQMQE-UHFFFAOYSA-N
MW378.03 g/mol
LogP4.73
Rot. Bonds2

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

3-amino-N-(2-bromo-5-fluorophenyl)-4,5-dichlorobenzamide (PubChem CID 107624291) has the molecular formula C13H8BrCl2FN2O and a molecular weight of 378.03 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-5-fluorophenyl)-4,5-dichlorobenzamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-5-fluorophenyl)-4,5-dichlorobenzamide
PubChem CID107624291
Molecular FormulaC13H8BrCl2FN2O
Molecular Weight378.03 g/mol
Exact Mass375.92
IUPAC Name3-amino-N-(2-bromo-5-fluorophenyl)-4,5-dichlorobenzamide
SMILESNc1cc(C(=O)Nc2cc(F)ccc2Br)cc(Cl)c1Cl
InChIInChI=1S/C13H8BrCl2FN2O/c14-8-2-1-7(17)5-11(8)19-13(20)6-3-9(15)12(16)10(18)4-6/h1-5H,18H2,(H,19,20)
InChIKeyAFKPVRNJQXQMQE-UHFFFAOYSA-N
XLogP4.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.03
LogP ≤ 54.73
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

3-amino-4,5-dichloro-N-(2,4-difluorophenyl)benzamide
CID 61090403
N-(2-bromo-5-fluorophenyl)-3-chloro-4-fluorobenzamide
CID 113264517
3-amino-N-(5-bromo-2-chlorophenyl)-4,5-dichlorobenzamide
CID 62915199
3-amino-4,5-dichloro-N-(2,4,5-trifluorophenyl)benzamide
CID 62815869
N-(2-bromo-5-fluorophenyl)-4-chloro-3-methylbenzamide
CID 113256553
N-(2-bromo-5-fluorophenyl)-3-chloro-5-methylbenzamide
CID 103774481
N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide
CID 103753469
2-amino-N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide
CID 107624293
3-amino-4,5-dichloro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65480857
3-amino-4-chloro-N-(2-chloro-5-fluorophenyl)benzamide
CID 107526592
3-amino-N-(4-bromo-2-cyanophenyl)-4,5-dichlorobenzamide
CID 82692123
6-bromo-N-(2-bromo-5-fluorophenyl)pyridine-3-carboxamide
CID 103753509

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-5-fluorophenyl)-4,5-dichlorobenzamide?
The IUPAC name of 3-amino-N-(2-bromo-5-fluorophenyl)-4,5-dichlorobenzamide (CID 107624291) is 3-amino-N-(2-bromo-5-fluorophenyl)-4,5-dichlorobenzamide.
What is the SMILES notation for 3-amino-N-(2-bromo-5-fluorophenyl)-4,5-dichlorobenzamide?
The canonical SMILES for 3-amino-N-(2-bromo-5-fluorophenyl)-4,5-dichlorobenzamide is Nc1cc(C(=O)Nc2cc(F)ccc2Br)cc(Cl)c1Cl.
What is the InChIKey of 3-amino-N-(2-bromo-5-fluorophenyl)-4,5-dichlorobenzamide?
The InChIKey is AFKPVRNJQXQMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2FN2O/c14-8-2-1-7(17)5-11(8)19-13(20)6-3-9(15)12(16)10(18)4-6/h1-5H,18H2,(H,19,20).
What are the key properties of 3-amino-N-(2-bromo-5-fluorophenyl)-4,5-dichlorobenzamide?
3-amino-N-(2-bromo-5-fluorophenyl)-4,5-dichlorobenzamide has a molecular weight of 378.03 g/mol, XLogP of 4.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromo-5-fluorophenyl)-4,5-dichlorobenzamide is sourced from PubChem (CID 107624291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).