N-(4-amino-3-fluorophenyl)-3-bromo-2-fluorobenzamide

C13H9BrF2N2O — CID 107948876

IUPACN-(4-amino-3-fluorophenyl)-3-bromo-2-fluorobenzamide
SMILESNc1ccc(NC(=O)c2cccc(Br)c2F)cc1F
InChIInChI=1S/C13H9BrF2N2O/c14-9-3-1-2-8(12(9)16)13(19)18-7-4-5-11(17)10(15)6-7/h1-6H,17H2,(H,18,19)
InChIKeyPANWIPOAPXHOAE-UHFFFAOYSA-N
MW327.13 g/mol
LogP3.56
Rot. Bonds2

About N-(4-amino-3-fluorophenyl)-3-bromo-2-fluorobenzamide

N-(4-amino-3-fluorophenyl)-3-bromo-2-fluorobenzamide (PubChem CID 107948876) has the molecular formula C13H9BrF2N2O and a molecular weight of 327.13 g/mol. Its IUPAC name is N-(4-amino-3-fluorophenyl)-3-bromo-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4-amino-3-fluorophenyl)-3-bromo-2-fluorobenzamide
PubChem CID107948876
Molecular FormulaC13H9BrF2N2O
Molecular Weight327.13 g/mol
Exact Mass325.99
IUPAC NameN-(4-amino-3-fluorophenyl)-3-bromo-2-fluorobenzamide
SMILESNc1ccc(NC(=O)c2cccc(Br)c2F)cc1F
InChIInChI=1S/C13H9BrF2N2O/c14-9-3-1-2-8(12(9)16)13(19)18-7-4-5-11(17)10(15)6-7/h1-6H,17H2,(H,18,19)
InChIKeyPANWIPOAPXHOAE-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

N-(4-amino-3-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343222
3-bromo-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide
CID 106544218
N-(2-amino-5-chlorophenyl)-3-bromo-2-fluorobenzamide
CID 107948709
3-amino-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 150244858
N-(3-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide
CID 81481979
3-bromo-2-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 106544979
N-(4-amino-3-bromophenyl)-2-chloro-3-fluorobenzamide
CID 82862154
N-(4-bromo-3-fluorophenyl)-3-chloro-2-fluorobenzamide
CID 81002084
3-amino-4-[(3-bromo-2-fluorobenzoyl)amino]benzoic acid
CID 107948835
3-bromo-N-(4-bromo-3-nitrophenyl)-2-fluorobenzamide
CID 106547604
N-(3,4-difluorophenyl)-2,3-difluorobenzamide
CID 62648495
3-bromo-2-fluoro-N-(4-formylphenyl)benzamide
CID 114019860

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-fluorophenyl)-3-bromo-2-fluorobenzamide?
The IUPAC name of N-(4-amino-3-fluorophenyl)-3-bromo-2-fluorobenzamide (CID 107948876) is N-(4-amino-3-fluorophenyl)-3-bromo-2-fluorobenzamide.
What is the SMILES notation for N-(4-amino-3-fluorophenyl)-3-bromo-2-fluorobenzamide?
The canonical SMILES for N-(4-amino-3-fluorophenyl)-3-bromo-2-fluorobenzamide is Nc1ccc(NC(=O)c2cccc(Br)c2F)cc1F.
What is the InChIKey of N-(4-amino-3-fluorophenyl)-3-bromo-2-fluorobenzamide?
The InChIKey is PANWIPOAPXHOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N2O/c14-9-3-1-2-8(12(9)16)13(19)18-7-4-5-11(17)10(15)6-7/h1-6H,17H2,(H,18,19).
What are the key properties of N-(4-amino-3-fluorophenyl)-3-bromo-2-fluorobenzamide?
N-(4-amino-3-fluorophenyl)-3-bromo-2-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-(4-amino-3-fluorophenyl)-3-bromo-2-fluorobenzamide is sourced from PubChem (CID 107948876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).