N-(3-amino-4-bromophenyl)-2-bromo-6-fluorobenzamide

C13H9Br2FN2O — CID 114558425

IUPACN-(3-amino-4-bromophenyl)-2-bromo-6-fluorobenzamide
SMILESNc1cc(NC(=O)c2c(F)cccc2Br)ccc1Br
InChIInChI=1S/C13H9Br2FN2O/c14-8-5-4-7(6-11(8)17)18-13(19)12-9(15)2-1-3-10(12)16/h1-6H,17H2,(H,18,19)
InChIKeyGEAHSLKTXZWMOP-UHFFFAOYSA-N
MW388.03 g/mol
LogP4.19
Rot. Bonds2

About N-(3-amino-4-bromophenyl)-2-bromo-6-fluorobenzamide

N-(3-amino-4-bromophenyl)-2-bromo-6-fluorobenzamide (PubChem CID 114558425) has the molecular formula C13H9Br2FN2O and a molecular weight of 388.03 g/mol. Its IUPAC name is N-(3-amino-4-bromophenyl)-2-bromo-6-fluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-4-bromophenyl)-2-bromo-6-fluorobenzamide
PubChem CID114558425
Molecular FormulaC13H9Br2FN2O
Molecular Weight388.03 g/mol
Exact Mass385.91
IUPAC NameN-(3-amino-4-bromophenyl)-2-bromo-6-fluorobenzamide
SMILESNc1cc(NC(=O)c2c(F)cccc2Br)ccc1Br
InChIInChI=1S/C13H9Br2FN2O/c14-8-5-4-7(6-11(8)17)18-13(19)12-9(15)2-1-3-10(12)16/h1-6H,17H2,(H,18,19)
InChIKeyGEAHSLKTXZWMOP-UHFFFAOYSA-N
XLogP4.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.03
LogP ≤ 54.19
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-bromophenyl)-2,4,6-trifluorobenzamide
CID 79767572
2-bromo-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 115678055
2-bromo-6-fluoro-N-pyridin-4-ylbenzamide
CID 59618072
N-(2-amino-4-fluorophenyl)-2-bromo-6-fluorobenzamide
CID 114558352
N-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide
CID 2526988
2-bromo-N-(3-ethylphenyl)-6-fluorobenzamide
CID 113250708
2-bromo-6-fluoro-N-(6-fluoro-3-pyridinyl)benzamide
CID 113262877
N-(5-amino-2-fluorophenyl)-2-bromo-6-fluorobenzamide
CID 115736640
2-bromo-6-fluoro-N-(4-methoxyphenyl)benzamide
CID 115678058
N-(3-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide
CID 81481979
2-bromo-6-fluoro-N-(4-methylsulfonylphenyl)benzamide
CID 115678157
2-bromo-6-fluoro-N-(3-methyl-4-nitrophenyl)benzamide
CID 115920885

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-bromophenyl)-2-bromo-6-fluorobenzamide?
The IUPAC name of N-(3-amino-4-bromophenyl)-2-bromo-6-fluorobenzamide (CID 114558425) is N-(3-amino-4-bromophenyl)-2-bromo-6-fluorobenzamide.
What is the SMILES notation for N-(3-amino-4-bromophenyl)-2-bromo-6-fluorobenzamide?
The canonical SMILES for N-(3-amino-4-bromophenyl)-2-bromo-6-fluorobenzamide is Nc1cc(NC(=O)c2c(F)cccc2Br)ccc1Br.
What is the InChIKey of N-(3-amino-4-bromophenyl)-2-bromo-6-fluorobenzamide?
The InChIKey is GEAHSLKTXZWMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2FN2O/c14-8-5-4-7(6-11(8)17)18-13(19)12-9(15)2-1-3-10(12)16/h1-6H,17H2,(H,18,19).
What are the key properties of N-(3-amino-4-bromophenyl)-2-bromo-6-fluorobenzamide?
N-(3-amino-4-bromophenyl)-2-bromo-6-fluorobenzamide has a molecular weight of 388.03 g/mol, XLogP of 4.19, 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-bromophenyl)-2-bromo-6-fluorobenzamide is sourced from PubChem (CID 114558425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).