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

C13H9BrF2N2O — CID 16777839

IUPACN-(3-amino-4-fluorophenyl)-2-bromo-5-fluorobenzamide
SMILESNc1cc(NC(=O)c2cc(F)ccc2Br)ccc1F
InChIInChI=1S/C13H9BrF2N2O/c14-10-3-1-7(15)5-9(10)13(19)18-8-2-4-11(16)12(17)6-8/h1-6H,17H2,(H,18,19)
InChIKeyPVZCXXUHCGYFRI-UHFFFAOYSA-N
MW327.13 g/mol
LogP3.56
Rot. Bonds2

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

N-(3-amino-4-fluorophenyl)-2-bromo-5-fluorobenzamide (PubChem CID 16777839) has the molecular formula C13H9BrF2N2O and a molecular weight of 327.13 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-2-bromo-5-fluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-2-bromo-5-fluorobenzamide
PubChem CID16777839
Molecular FormulaC13H9BrF2N2O
Molecular Weight327.13 g/mol
Exact Mass325.99
IUPAC NameN-(3-amino-4-fluorophenyl)-2-bromo-5-fluorobenzamide
SMILESNc1cc(NC(=O)c2cc(F)ccc2Br)ccc1F
InChIInChI=1S/C13H9BrF2N2O/c14-10-3-1-7(15)5-9(10)13(19)18-8-2-4-11(16)12(17)6-8/h1-6H,17H2,(H,18,19)
InChIKeyPVZCXXUHCGYFRI-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-(3-amino-4-chlorophenyl)-2-bromo-5-fluorobenzamide
CID 16777113
N-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide
CID 115661483
2-bromo-5-fluoro-N-pyridin-4-ylbenzamide
CID 24689645
5-[(2-amino-5-fluorobenzoyl)amino]-2-fluorobenzoic acid
CID 43712158
2-bromo-5-fluoro-N-(4-sulfamoylphenyl)benzamide
CID 9035116
2-bromo-N-(4-chloro-3-hydroxyphenyl)-5-fluorobenzamide
CID 64789249
N-(3-amino-4-bromophenyl)-2-fluoro-5-methylbenzamide
CID 79767809
3-amino-N-(4-bromo-3-fluorophenyl)-2,5-difluorobenzamide
CID 107121167
N-(3-amino-4-bromophenyl)-2,4,6-trifluorobenzamide
CID 79767572
N-(3-amino-4-fluorophenyl)-4-bromobenzamide
CID 16777540
2-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)benzamide
CID 43245678
N-(2-amino-4,6-dichlorophenyl)-2-bromo-5-fluorobenzamide
CID 16774955

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-2-bromo-5-fluorobenzamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-2-bromo-5-fluorobenzamide (CID 16777839) is N-(3-amino-4-fluorophenyl)-2-bromo-5-fluorobenzamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-2-bromo-5-fluorobenzamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-2-bromo-5-fluorobenzamide is Nc1cc(NC(=O)c2cc(F)ccc2Br)ccc1F.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-2-bromo-5-fluorobenzamide?
The InChIKey is PVZCXXUHCGYFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N2O/c14-10-3-1-7(15)5-9(10)13(19)18-8-2-4-11(16)12(17)6-8/h1-6H,17H2,(H,18,19).
What are the key properties of N-(3-amino-4-fluorophenyl)-2-bromo-5-fluorobenzamide?
N-(3-amino-4-fluorophenyl)-2-bromo-5-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-(3-amino-4-fluorophenyl)-2-bromo-5-fluorobenzamide is sourced from PubChem (CID 16777839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).