N-(2-amino-4-fluorophenyl)-2-bromo-6-fluorobenzamide

C13H9BrF2N2O — CID 114558352

IUPACN-(2-amino-4-fluorophenyl)-2-bromo-6-fluorobenzamide
SMILESNc1cc(F)ccc1NC(=O)c1c(F)cccc1Br
InChIInChI=1S/C13H9BrF2N2O/c14-8-2-1-3-9(16)12(8)13(19)18-11-5-4-7(15)6-10(11)17/h1-6H,17H2,(H,18,19)
InChIKeyKNALDYVIBFBLMC-UHFFFAOYSA-N
MW327.13 g/mol
LogP3.56
Rot. Bonds2

About N-(2-amino-4-fluorophenyl)-2-bromo-6-fluorobenzamide

N-(2-amino-4-fluorophenyl)-2-bromo-6-fluorobenzamide (PubChem CID 114558352) has the molecular formula C13H9BrF2N2O and a molecular weight of 327.13 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-2-bromo-6-fluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-2-bromo-6-fluorobenzamide
PubChem CID114558352
Molecular FormulaC13H9BrF2N2O
Molecular Weight327.13 g/mol
Exact Mass325.99
IUPAC NameN-(2-amino-4-fluorophenyl)-2-bromo-6-fluorobenzamide
SMILESNc1cc(F)ccc1NC(=O)c1c(F)cccc1Br
InChIInChI=1S/C13H9BrF2N2O/c14-8-2-1-3-9(16)12(8)13(19)18-11-5-4-7(15)6-10(11)17/h1-6H,17H2,(H,18,19)
InChIKeyKNALDYVIBFBLMC-UHFFFAOYSA-N
XLogP3.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 53.56
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-carbamothioyl-4-fluorophenyl)-6-fluorobenzamide
CID 114559285
2-bromo-6-fluoro-N-(5-fluoro-2-methylphenyl)benzamide
CID 115678106
N-(5-amino-2-fluorophenyl)-2-bromo-6-fluorobenzamide
CID 115736640
N-(2-amino-4-fluorophenyl)-2,6-dimethylbenzamide
CID 107999853
N-(3-amino-4-bromophenyl)-2-bromo-6-fluorobenzamide
CID 114558425
N-(2,4-difluorophenyl)-2,6-difluorobenzamide
CID 2796874
2-bromo-N-(2,4-dimethylphenyl)-6-fluorobenzamide
CID 113250689
2-bromo-N-(4-carbamothioyl-2-fluorophenyl)-6-fluorobenzamide
CID 114559284
2-bromo-N-(4-carbamoyl-2-methylphenyl)-6-fluorobenzamide
CID 115678377
2-bromo-N-(2-chloro-4-methylphenyl)-6-fluorobenzamide
CID 115678082
4-[(2-bromo-6-fluorobenzoyl)amino]-3-chlorobenzoic acid
CID 114558539
2-bromo-6-fluoro-N-naphthalen-1-ylbenzamide
CID 115678062

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-2-bromo-6-fluorobenzamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-2-bromo-6-fluorobenzamide (CID 114558352) is N-(2-amino-4-fluorophenyl)-2-bromo-6-fluorobenzamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-2-bromo-6-fluorobenzamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-2-bromo-6-fluorobenzamide is Nc1cc(F)ccc1NC(=O)c1c(F)cccc1Br.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-2-bromo-6-fluorobenzamide?
The InChIKey is KNALDYVIBFBLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N2O/c14-8-2-1-3-9(16)12(8)13(19)18-11-5-4-7(15)6-10(11)17/h1-6H,17H2,(H,18,19).
What are the key properties of N-(2-amino-4-fluorophenyl)-2-bromo-6-fluorobenzamide?
N-(2-amino-4-fluorophenyl)-2-bromo-6-fluorobenzamide has a molecular weight of 327.13 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-2-bromo-6-fluorobenzamide is sourced from PubChem (CID 114558352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).