5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzamide

C15H14BrFN2O — CID 107571074

IUPAC5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzamide
SMILESCc1cc(NC(=O)c2cc(N)ccc2F)cc(C)c1Br
InChIInChI=1S/C15H14BrFN2O/c1-8-5-11(6-9(2)14(8)16)19-15(20)12-7-10(18)3-4-13(12)17/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyZJCBWCOLSKRVFE-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.04
Rot. Bonds2

About 5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzamide

5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzamide (PubChem CID 107571074) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzamide
PubChem CID107571074
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzamide
SMILESCc1cc(NC(=O)c2cc(N)ccc2F)cc(C)c1Br
InChIInChI=1S/C15H14BrFN2O/c1-8-5-11(6-9(2)14(8)16)19-15(20)12-7-10(18)3-4-13(12)17/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyZJCBWCOLSKRVFE-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

4-amino-N-(3-bromo-5-methylphenyl)-2-fluorobenzamide
CID 107581615
3-amino-N-(4-bromo-3,5-dimethylphenyl)-2,5-difluorobenzamide
CID 107571068
5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-methylpyridine-3-carboxamide
CID 107571106
N-(4-bromo-3,5-dimethylphenyl)-3-fluoro-2-hydrazinylbenzamide
CID 107578899
5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide
CID 61291909
methyl 4-[(5-amino-2-fluorobenzoyl)amino]benzoate
CID 61117353
N-(3-amino-4-methylphenyl)-5-bromo-2-fluorobenzamide
CID 24700004
5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzenesulfonamide
CID 107571249
5-amino-N-(4-fluoro-3-methylphenyl)-2-nitrobenzamide
CID 62811596
N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzamide
CID 107573361
N-(4-bromo-3,5-dimethylphenyl)-2,5-dimethylbenzamide
CID 107574857
5-amino-2-fluoro-N-(1,2-oxazol-4-yl)benzamide
CID 62902582

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzamide?
The IUPAC name of 5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzamide (CID 107571074) is 5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzamide.
What is the SMILES notation for 5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzamide?
The canonical SMILES for 5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzamide is Cc1cc(NC(=O)c2cc(N)ccc2F)cc(C)c1Br.
What is the InChIKey of 5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzamide?
The InChIKey is ZJCBWCOLSKRVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-8-5-11(6-9(2)14(8)16)19-15(20)12-7-10(18)3-4-13(12)17/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of 5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzamide?
5-amino-N-(4-bromo-3,5-dimethylphenyl)-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 5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzamide is sourced from PubChem (CID 107571074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).