N-(3-amino-4-bromophenyl)-2,4,6-trifluorobenzamide

C13H8BrF3N2O — CID 79767572

IUPACN-(3-amino-4-bromophenyl)-2,4,6-trifluorobenzamide
SMILESNc1cc(NC(=O)c2c(F)cc(F)cc2F)ccc1Br
InChIInChI=1S/C13H8BrF3N2O/c14-8-2-1-7(5-11(8)18)19-13(20)12-9(16)3-6(15)4-10(12)17/h1-5H,18H2,(H,19,20)
InChIKeyPCPUKTVDSDSPBO-UHFFFAOYSA-N
MW345.12 g/mol
LogP3.70
Rot. Bonds2

About N-(3-amino-4-bromophenyl)-2,4,6-trifluorobenzamide

N-(3-amino-4-bromophenyl)-2,4,6-trifluorobenzamide (PubChem CID 79767572) has the molecular formula C13H8BrF3N2O and a molecular weight of 345.12 g/mol. Its IUPAC name is N-(3-amino-4-bromophenyl)-2,4,6-trifluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-4-bromophenyl)-2,4,6-trifluorobenzamide
PubChem CID79767572
Molecular FormulaC13H8BrF3N2O
Molecular Weight345.12 g/mol
Exact Mass343.98
IUPAC NameN-(3-amino-4-bromophenyl)-2,4,6-trifluorobenzamide
SMILESNc1cc(NC(=O)c2c(F)cc(F)cc2F)ccc1Br
InChIInChI=1S/C13H8BrF3N2O/c14-8-2-1-7(5-11(8)18)19-13(20)12-9(16)3-6(15)4-10(12)17/h1-5H,18H2,(H,19,20)
InChIKeyPCPUKTVDSDSPBO-UHFFFAOYSA-N
XLogP3.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.12
LogP ≤ 53.70
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-bromo-6-fluorobenzamide
CID 114558425
N-(4-bromophenyl)-2,4,6-trifluorobenzamide
CID 65098972
N-(3-amino-4-methoxyphenyl)-2,4,6-trifluorobenzamide
CID 65100627
3-amino-N-(4-bromo-3-fluorophenyl)-2,5-difluorobenzamide
CID 107121167
N-(3-amino-4-fluorophenyl)-2-bromo-5-fluorobenzamide
CID 16777839
3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide
CID 61090796
N-(6-amino-3-pyridinyl)-2,4,6-trifluorobenzamide
CID 65100279
N-(3-amino-4-bromophenyl)-2-fluoro-5-methylbenzamide
CID 79767809
N-(2-amino-6-bromo-4-methylphenyl)-2,4,6-trifluorobenzamide
CID 116813509
2-amino-N-(4-bromo-3-fluorophenyl)-5-hydroxybenzamide
CID 107075499
N-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide
CID 2526988
N-(3-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide
CID 81481979

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-bromophenyl)-2,4,6-trifluorobenzamide?
The IUPAC name of N-(3-amino-4-bromophenyl)-2,4,6-trifluorobenzamide (CID 79767572) is N-(3-amino-4-bromophenyl)-2,4,6-trifluorobenzamide.
What is the SMILES notation for N-(3-amino-4-bromophenyl)-2,4,6-trifluorobenzamide?
The canonical SMILES for N-(3-amino-4-bromophenyl)-2,4,6-trifluorobenzamide is Nc1cc(NC(=O)c2c(F)cc(F)cc2F)ccc1Br.
What is the InChIKey of N-(3-amino-4-bromophenyl)-2,4,6-trifluorobenzamide?
The InChIKey is PCPUKTVDSDSPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3N2O/c14-8-2-1-7(5-11(8)18)19-13(20)12-9(16)3-6(15)4-10(12)17/h1-5H,18H2,(H,19,20).
What are the key properties of N-(3-amino-4-bromophenyl)-2,4,6-trifluorobenzamide?
N-(3-amino-4-bromophenyl)-2,4,6-trifluorobenzamide has a molecular weight of 345.12 g/mol, XLogP of 3.70, 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)-2,4,6-trifluorobenzamide is sourced from PubChem (CID 79767572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).