3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide

C13H9BrF2N2O — CID 61090796

IUPAC3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide
SMILESNc1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1Br
InChIInChI=1S/C13H9BrF2N2O/c14-9-3-1-7(5-12(9)17)13(19)18-8-2-4-10(15)11(16)6-8/h1-6H,17H2,(H,18,19)
InChIKeyXYVPSJZQIDUCAU-UHFFFAOYSA-N
MW327.13 g/mol
LogP3.56
Rot. Bonds2

About 3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide

3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide (PubChem CID 61090796) has the molecular formula C13H9BrF2N2O and a molecular weight of 327.13 g/mol. Its IUPAC name is 3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide
PubChem CID61090796
Molecular FormulaC13H9BrF2N2O
Molecular Weight327.13 g/mol
Exact Mass325.99
IUPAC Name3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide
SMILESNc1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1Br
InChIInChI=1S/C13H9BrF2N2O/c14-9-3-1-7(5-12(9)17)13(19)18-8-2-4-10(15)11(16)6-8/h1-6H,17H2,(H,18,19)
InChIKeyXYVPSJZQIDUCAU-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

3-amino-4-bromo-N-(4-fluoro-3-methylphenyl)benzamide
CID 55118828
3-amino-4-bromo-N-(3-fluoro-4-nitrophenyl)benzamide
CID 107813287
3-amino-N-(4-bromo-3-methylphenyl)-4-fluorobenzamide
CID 43436950
4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198
3-amino-4-bromo-N-(3-bromophenyl)benzamide
CID 61091693
3-amino-4-bromo-N-(3-hydroxyphenyl)benzamide
CID 61166318
6-bromo-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 66462669
3-amino-4-bromo-N-naphthalen-2-ylbenzamide
CID 61116894
N-(4-amino-3-chlorophenyl)-4-bromo-3-fluorobenzamide
CID 82861950
4-bromo-N-(3-bromo-4-fluorophenyl)-3-hydroxybenzamide
CID 113342873
N-(3-amino-4-fluorophenyl)-4-bromobenzamide
CID 16777540
3-amino-N-(4-chlorophenyl)-4-fluorobenzamide
CID 39364346

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide?
The IUPAC name of 3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide (CID 61090796) is 3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide?
The canonical SMILES for 3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide is Nc1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1Br.
What is the InChIKey of 3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide?
The InChIKey is XYVPSJZQIDUCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N2O/c14-9-3-1-7(5-12(9)17)13(19)18-8-2-4-10(15)11(16)6-8/h1-6H,17H2,(H,18,19).
What are the key properties of 3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide?
3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide 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 3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide is sourced from PubChem (CID 61090796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).