N-(2-amino-5-chlorophenyl)-3-bromo-4-fluorobenzamide

C13H9BrClFN2O — CID 107948708

IUPACN-(2-amino-5-chlorophenyl)-3-bromo-4-fluorobenzamide
SMILESNc1ccc(Cl)cc1NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H9BrClFN2O/c14-9-5-7(1-3-10(9)16)13(19)18-12-6-8(15)2-4-11(12)17/h1-6H,17H2,(H,18,19)
InChIKeyKUYZBYSQABROPA-UHFFFAOYSA-N
MW343.58 g/mol
LogP4.08
Rot. Bonds2

About N-(2-amino-5-chlorophenyl)-3-bromo-4-fluorobenzamide

N-(2-amino-5-chlorophenyl)-3-bromo-4-fluorobenzamide (PubChem CID 107948708) has the molecular formula C13H9BrClFN2O and a molecular weight of 343.58 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-3-bromo-4-fluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-3-bromo-4-fluorobenzamide
PubChem CID107948708
Molecular FormulaC13H9BrClFN2O
Molecular Weight343.58 g/mol
Exact Mass341.96
IUPAC NameN-(2-amino-5-chlorophenyl)-3-bromo-4-fluorobenzamide
SMILESNc1ccc(Cl)cc1NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H9BrClFN2O/c14-9-5-7(1-3-10(9)16)13(19)18-12-6-8(15)2-4-11(12)17/h1-6H,17H2,(H,18,19)
InChIKeyKUYZBYSQABROPA-UHFFFAOYSA-N
XLogP4.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.58
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-3-bromo-4-fluorobenzamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-3-bromo-4-fluorobenzamide (CID 107948708) is N-(2-amino-5-chlorophenyl)-3-bromo-4-fluorobenzamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-3-bromo-4-fluorobenzamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-3-bromo-4-fluorobenzamide is Nc1ccc(Cl)cc1NC(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-3-bromo-4-fluorobenzamide?
The InChIKey is KUYZBYSQABROPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFN2O/c14-9-5-7(1-3-10(9)16)13(19)18-12-6-8(15)2-4-11(12)17/h1-6H,17H2,(H,18,19).
What are the key properties of N-(2-amino-5-chlorophenyl)-3-bromo-4-fluorobenzamide?
N-(2-amino-5-chlorophenyl)-3-bromo-4-fluorobenzamide has a molecular weight of 343.58 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-3-bromo-4-fluorobenzamide is sourced from PubChem (CID 107948708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).