N-(4-bromo-2,5-difluorophenyl)-4-methyl-2-(methylamino)benzamide

C15H13BrF2N2O — CID 107616577

IUPACN-(4-bromo-2,5-difluorophenyl)-4-methyl-2-(methylamino)benzamide
SMILESCNc1cc(C)ccc1C(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C15H13BrF2N2O/c1-8-3-4-9(13(5-8)19-2)15(21)20-14-7-11(17)10(16)6-12(14)18/h3-7,19H,1-2H3,(H,20,21)
InChIKeyWJRJBVNAZVYNNE-UHFFFAOYSA-N
MW355.18 g/mol
LogP4.33
Rot. Bonds3

About N-(4-bromo-2,5-difluorophenyl)-4-methyl-2-(methylamino)benzamide

N-(4-bromo-2,5-difluorophenyl)-4-methyl-2-(methylamino)benzamide (PubChem CID 107616577) has the molecular formula C15H13BrF2N2O and a molecular weight of 355.18 g/mol. Its IUPAC name is N-(4-bromo-2,5-difluorophenyl)-4-methyl-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-(4-bromo-2,5-difluorophenyl)-4-methyl-2-(methylamino)benzamide
PubChem CID107616577
Molecular FormulaC15H13BrF2N2O
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC NameN-(4-bromo-2,5-difluorophenyl)-4-methyl-2-(methylamino)benzamide
SMILESCNc1cc(C)ccc1C(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C15H13BrF2N2O/c1-8-3-4-9(13(5-8)19-2)15(21)20-14-7-11(17)10(16)6-12(14)18/h3-7,19H,1-2H3,(H,20,21)
InChIKeyWJRJBVNAZVYNNE-UHFFFAOYSA-N
XLogP4.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2,5-difluorophenyl)-2-methoxy-5-methylbenzamide
CID 103842569
N-(5-bromo-2,4-difluorophenyl)-2-hydroxy-4-methylbenzamide
CID 102854031
N-(2-bromo-5-chlorophenyl)-4-methyl-2-(methylamino)benzamide
CID 81275377
5-methyl-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide
CID 62809031
N-(2-bromo-5-methylphenyl)-2,4-difluorobenzamide
CID 82706445
N-(4-bromo-2,5-difluorophenyl)-5-chloro-2-methylbenzamide
CID 103842699
5-amino-N-(4-bromo-2,5-difluorophenyl)-2,4-dimethylbenzamide
CID 107608755
4-bromo-N-(2-bromo-5-methylphenyl)-2-fluorobenzamide
CID 82707497
N-(4-bromo-2,5-difluorophenyl)-4-fluorobenzamide
CID 103842544
2-bromo-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107612432
N-(4-bromo-2,5-difluorophenyl)-2-iodobenzamide
CID 103842493
N-(2-bromo-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62509154

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-difluorophenyl)-4-methyl-2-(methylamino)benzamide?
The IUPAC name of N-(4-bromo-2,5-difluorophenyl)-4-methyl-2-(methylamino)benzamide (CID 107616577) is N-(4-bromo-2,5-difluorophenyl)-4-methyl-2-(methylamino)benzamide.
What is the SMILES notation for N-(4-bromo-2,5-difluorophenyl)-4-methyl-2-(methylamino)benzamide?
The canonical SMILES for N-(4-bromo-2,5-difluorophenyl)-4-methyl-2-(methylamino)benzamide is CNc1cc(C)ccc1C(=O)Nc1cc(F)c(Br)cc1F.
What is the InChIKey of N-(4-bromo-2,5-difluorophenyl)-4-methyl-2-(methylamino)benzamide?
The InChIKey is WJRJBVNAZVYNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N2O/c1-8-3-4-9(13(5-8)19-2)15(21)20-14-7-11(17)10(16)6-12(14)18/h3-7,19H,1-2H3,(H,20,21).
What are the key properties of N-(4-bromo-2,5-difluorophenyl)-4-methyl-2-(methylamino)benzamide?
N-(4-bromo-2,5-difluorophenyl)-4-methyl-2-(methylamino)benzamide has a molecular weight of 355.18 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,5-difluorophenyl)-4-methyl-2-(methylamino)benzamide is sourced from PubChem (CID 107616577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).