3-amino-N-(4-bromo-3-methylphenyl)-4-fluorobenzamide

C14H12BrFN2O — CID 43436950

IUPAC3-amino-N-(4-bromo-3-methylphenyl)-4-fluorobenzamide
SMILESCc1cc(NC(=O)c2ccc(F)c(N)c2)ccc1Br
InChIInChI=1S/C14H12BrFN2O/c1-8-6-10(3-4-11(8)15)18-14(19)9-2-5-12(16)13(17)7-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeyHSRYIONQOZEYTM-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.73
Rot. Bonds2

About 3-amino-N-(4-bromo-3-methylphenyl)-4-fluorobenzamide

3-amino-N-(4-bromo-3-methylphenyl)-4-fluorobenzamide (PubChem CID 43436950) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-3-methylphenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-3-methylphenyl)-4-fluorobenzamide
PubChem CID43436950
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC Name3-amino-N-(4-bromo-3-methylphenyl)-4-fluorobenzamide
SMILESCc1cc(NC(=O)c2ccc(F)c(N)c2)ccc1Br
InChIInChI=1S/C14H12BrFN2O/c1-8-6-10(3-4-11(8)15)18-14(19)9-2-5-12(16)13(17)7-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeyHSRYIONQOZEYTM-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-4-bromo-N-(4-fluoro-3-methylphenyl)benzamide
CID 55118828
3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide
CID 61090796
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
N-(3-amino-4-fluorophenyl)-4-hydroxy-3-methylbenzamide
CID 107672026
N-(3-amino-4-fluorophenyl)-4-bromobenzamide
CID 16777540
N-(4-bromo-3-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63185694
N-(3-amino-4-fluorophenyl)-4-chloro-3-methylbenzamide
CID 115736624
3-amino-N-(4-chlorophenyl)-4-fluorobenzamide
CID 39364346
N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 115661442
N-(4-bromo-3-methylphenyl)-3-fluoro-5-methylbenzamide
CID 113244608
N-(4-bromo-3-methylphenyl)-3-chloro-4-methylbenzamide
CID 2296154
3-amino-N-(4-tert-butylphenyl)-4-fluorobenzamide
CID 39387577

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-3-methylphenyl)-4-fluorobenzamide?
The IUPAC name of 3-amino-N-(4-bromo-3-methylphenyl)-4-fluorobenzamide (CID 43436950) is 3-amino-N-(4-bromo-3-methylphenyl)-4-fluorobenzamide.
What is the SMILES notation for 3-amino-N-(4-bromo-3-methylphenyl)-4-fluorobenzamide?
The canonical SMILES for 3-amino-N-(4-bromo-3-methylphenyl)-4-fluorobenzamide is Cc1cc(NC(=O)c2ccc(F)c(N)c2)ccc1Br.
What is the InChIKey of 3-amino-N-(4-bromo-3-methylphenyl)-4-fluorobenzamide?
The InChIKey is HSRYIONQOZEYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c1-8-6-10(3-4-11(8)15)18-14(19)9-2-5-12(16)13(17)7-9/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-(4-bromo-3-methylphenyl)-4-fluorobenzamide?
3-amino-N-(4-bromo-3-methylphenyl)-4-fluorobenzamide 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-N-(4-bromo-3-methylphenyl)-4-fluorobenzamide is sourced from PubChem (CID 43436950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).