2-amino-N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide

C13H9BrClFN2O — CID 107624293

IUPAC2-amino-N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide
SMILESNc1c(Cl)cccc1C(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C13H9BrClFN2O/c14-9-5-4-7(16)6-11(9)18-13(19)8-2-1-3-10(15)12(8)17/h1-6H,17H2,(H,18,19)
InChIKeyOLTHNFCTYSIJHN-UHFFFAOYSA-N
MW343.58 g/mol
LogP4.08
Rot. Bonds2

About 2-amino-N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide

2-amino-N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide (PubChem CID 107624293) has the molecular formula C13H9BrClFN2O and a molecular weight of 343.58 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide
PubChem CID107624293
Molecular FormulaC13H9BrClFN2O
Molecular Weight343.58 g/mol
Exact Mass341.96
IUPAC Name2-amino-N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide
SMILESNc1c(Cl)cccc1C(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C13H9BrClFN2O/c14-9-5-4-7(16)6-11(9)18-13(19)8-2-1-3-10(15)12(8)17/h1-6H,17H2,(H,18,19)
InChIKeyOLTHNFCTYSIJHN-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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Related Compounds

N-(2-bromo-5-fluorophenyl)-3-chloro-2-nitrobenzamide
CID 103753378
3-amino-N-(2-bromo-5-fluorophenyl)-2-hydroxybenzamide
CID 107624299
2-amino-3-chloro-N-(2,3,5-trifluorophenyl)benzamide
CID 115540640
2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide
CID 115539928
2-amino-N-(2-bromo-3-chlorophenyl)-5-fluorobenzamide
CID 103477110
N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide
CID 103753469
N-(2-bromo-5-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide
CID 113255459
2-amino-3-chloro-N-(2-fluoro-5-methylphenyl)benzamide
CID 115540011
2-amino-3-chloro-N-(2,5-difluoro-4-methylphenyl)benzamide
CID 103584339
2-amino-N-(4-bromo-3-methylphenyl)-3-chlorobenzamide
CID 115539970
2-amino-N-(2-bromo-3-chlorophenyl)-4-fluorobenzamide
CID 103477086
3-amino-N-(2-bromo-5-fluorophenyl)-4,5-dichlorobenzamide
CID 107624291

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide?
The IUPAC name of 2-amino-N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide (CID 107624293) is 2-amino-N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide.
What is the SMILES notation for 2-amino-N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide?
The canonical SMILES for 2-amino-N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide is Nc1c(Cl)cccc1C(=O)Nc1cc(F)ccc1Br.
What is the InChIKey of 2-amino-N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide?
The InChIKey is OLTHNFCTYSIJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFN2O/c14-9-5-4-7(16)6-11(9)18-13(19)8-2-1-3-10(15)12(8)17/h1-6H,17H2,(H,18,19).
What are the key properties of 2-amino-N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide?
2-amino-N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide 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 2-amino-N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide is sourced from PubChem (CID 107624293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).