3-amino-5-bromo-N-(4-fluorophenyl)-2-methylbenzamide

C14H12BrFN2O — CID 107872023

IUPAC3-amino-5-bromo-N-(4-fluorophenyl)-2-methylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H12BrFN2O/c1-8-12(6-9(15)7-13(8)17)14(19)18-11-4-2-10(16)3-5-11/h2-7H,17H2,1H3,(H,18,19)
InChIKeyFIVMLJNXAKUERD-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.73
Rot. Bonds2

About 3-amino-5-bromo-N-(4-fluorophenyl)-2-methylbenzamide

3-amino-5-bromo-N-(4-fluorophenyl)-2-methylbenzamide (PubChem CID 107872023) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(4-fluorophenyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(4-fluorophenyl)-2-methylbenzamide
PubChem CID107872023
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC Name3-amino-5-bromo-N-(4-fluorophenyl)-2-methylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H12BrFN2O/c1-8-12(6-9(15)7-13(8)17)14(19)18-11-4-2-10(16)3-5-11/h2-7H,17H2,1H3,(H,18,19)
InChIKeyFIVMLJNXAKUERD-UHFFFAOYSA-N
XLogP3.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 53.73
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-5-bromo-N-(3,4-difluorophenyl)-2-methylbenzamide
CID 107872055
3-amino-5-bromo-N-(2,4-difluorophenyl)-2-methylbenzamide
CID 107872035
3-amino-5-bromo-N-(3-chloro-5-fluorophenyl)-2-methylbenzamide
CID 107873288
3-amino-5-bromo-N-(3,5-dichlorophenyl)-2-methylbenzamide
CID 107872101
3-amino-5-bromo-N-(3-hydroxyphenyl)-2-methylbenzamide
CID 107872490
3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide
CID 107872047
3-amino-5-bromo-N-(2,6-dibromophenyl)-2-methylbenzamide
CID 107873304
3-amino-5-bromo-2-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 107872334
3-amino-5-bromo-2-methyl-N-(1,2-oxazol-4-yl)benzamide
CID 114011357
2-amino-4-fluoro-N-(4-fluorophenyl)benzamide
CID 62059687
3-amino-5-bromo-N-(2-bromo-5-methylphenyl)-2-methylbenzamide
CID 107873022
3-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-2-methylbenzamide
CID 107872119

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(4-fluorophenyl)-2-methylbenzamide?
The IUPAC name of 3-amino-5-bromo-N-(4-fluorophenyl)-2-methylbenzamide (CID 107872023) is 3-amino-5-bromo-N-(4-fluorophenyl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-5-bromo-N-(4-fluorophenyl)-2-methylbenzamide?
The canonical SMILES for 3-amino-5-bromo-N-(4-fluorophenyl)-2-methylbenzamide is Cc1c(N)cc(Br)cc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 3-amino-5-bromo-N-(4-fluorophenyl)-2-methylbenzamide?
The InChIKey is FIVMLJNXAKUERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c1-8-12(6-9(15)7-13(8)17)14(19)18-11-4-2-10(16)3-5-11/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-5-bromo-N-(4-fluorophenyl)-2-methylbenzamide?
3-amino-5-bromo-N-(4-fluorophenyl)-2-methylbenzamide has a molecular weight of 323.17 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-(4-fluorophenyl)-2-methylbenzamide is sourced from PubChem (CID 107872023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).