N-(6-amino-2,3-dimethylphenyl)-5-bromo-2-fluorobenzamide

C15H14BrFN2O — CID 43548023

IUPACN-(6-amino-2,3-dimethylphenyl)-5-bromo-2-fluorobenzamide
SMILESCc1ccc(N)c(NC(=O)c2cc(Br)ccc2F)c1C
InChIInChI=1S/C15H14BrFN2O/c1-8-3-6-13(18)14(9(8)2)19-15(20)11-7-10(16)4-5-12(11)17/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyVSPIQJLGBIPYCG-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.04
Rot. Bonds2

About N-(6-amino-2,3-dimethylphenyl)-5-bromo-2-fluorobenzamide

N-(6-amino-2,3-dimethylphenyl)-5-bromo-2-fluorobenzamide (PubChem CID 43548023) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is N-(6-amino-2,3-dimethylphenyl)-5-bromo-2-fluorobenzamide.

Molecular Properties

Compound NameN-(6-amino-2,3-dimethylphenyl)-5-bromo-2-fluorobenzamide
PubChem CID43548023
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC NameN-(6-amino-2,3-dimethylphenyl)-5-bromo-2-fluorobenzamide
SMILESCc1ccc(N)c(NC(=O)c2cc(Br)ccc2F)c1C
InChIInChI=1S/C15H14BrFN2O/c1-8-3-6-13(18)14(9(8)2)19-15(20)11-7-10(16)4-5-12(11)17/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyVSPIQJLGBIPYCG-UHFFFAOYSA-N
XLogP4.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 54.04
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-methylphenyl)-5-bromo-2-fluorobenzamide
CID 24700004
N-(6-amino-2,3-dimethylphenyl)-4-bromobenzamide
CID 43548126
N-(6-amino-2,3-dimethylphenyl)-2,6-difluoro-3-methylbenzamide
CID 82797496
N-(2-amino-5-chlorophenyl)-5-bromo-2-fluorobenzamide
CID 24699699
N-(6-amino-2,3-dimethylphenyl)-2-chloro-4-fluorobenzamide
CID 43548096
N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzamide
CID 43549968
N-(2-amino-5-chlorophenyl)-5-bromo-2-methylbenzamide
CID 65306711
5-[(5-bromo-2-fluorobenzoyl)amino]-2-methylbenzoic acid
CID 63653499
5-bromo-2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793080
5-bromo-N-(2,6-difluoro-3-methylphenyl)-2-hydroxybenzamide
CID 107729819
N-(5-amino-3-methyl-2-pyridinyl)-5-bromo-2-fluorobenzamide
CID 112555441
2-amino-N-(2,6-difluoro-3-methylphenyl)-5-methylbenzamide
CID 82816475

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,3-dimethylphenyl)-5-bromo-2-fluorobenzamide?
The IUPAC name of N-(6-amino-2,3-dimethylphenyl)-5-bromo-2-fluorobenzamide (CID 43548023) is N-(6-amino-2,3-dimethylphenyl)-5-bromo-2-fluorobenzamide.
What is the SMILES notation for N-(6-amino-2,3-dimethylphenyl)-5-bromo-2-fluorobenzamide?
The canonical SMILES for N-(6-amino-2,3-dimethylphenyl)-5-bromo-2-fluorobenzamide is Cc1ccc(N)c(NC(=O)c2cc(Br)ccc2F)c1C.
What is the InChIKey of N-(6-amino-2,3-dimethylphenyl)-5-bromo-2-fluorobenzamide?
The InChIKey is VSPIQJLGBIPYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-8-3-6-13(18)14(9(8)2)19-15(20)11-7-10(16)4-5-12(11)17/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of N-(6-amino-2,3-dimethylphenyl)-5-bromo-2-fluorobenzamide?
N-(6-amino-2,3-dimethylphenyl)-5-bromo-2-fluorobenzamide has a molecular weight of 337.19 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,3-dimethylphenyl)-5-bromo-2-fluorobenzamide is sourced from PubChem (CID 43548023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).