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

C14H11BrF2N2O — CID 60861029

IUPAC3-amino-N-(2-bromo-4-fluorophenyl)-5-fluoro-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)Nc2ccc(F)cc2Br)cc1F
InChIInChI=1S/C14H11BrF2N2O/c1-7-11(17)4-8(5-12(7)18)14(20)19-13-3-2-9(16)6-10(13)15/h2-6H,18H2,1H3,(H,19,20)
InChIKeyQCCBXYWWNJGMLN-UHFFFAOYSA-N
MW341.16 g/mol
LogP3.87
Rot. Bonds2

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

3-amino-N-(2-bromo-4-fluorophenyl)-5-fluoro-4-methylbenzamide (PubChem CID 60861029) has the molecular formula C14H11BrF2N2O and a molecular weight of 341.16 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-4-fluorophenyl)-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-4-fluorophenyl)-5-fluoro-4-methylbenzamide
PubChem CID60861029
Molecular FormulaC14H11BrF2N2O
Molecular Weight341.16 g/mol
Exact Mass340.00
IUPAC Name3-amino-N-(2-bromo-4-fluorophenyl)-5-fluoro-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)Nc2ccc(F)cc2Br)cc1F
InChIInChI=1S/C14H11BrF2N2O/c1-7-11(17)4-8(5-12(7)18)14(20)19-13-3-2-9(16)6-10(13)15/h2-6H,18H2,1H3,(H,19,20)
InChIKeyQCCBXYWWNJGMLN-UHFFFAOYSA-N
XLogP3.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 53.87
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-fluoro-N-(4-fluoro-2-iodophenyl)-4-methylbenzamide
CID 79769032
4-amino-N-(2-bromo-4-fluorophenyl)-3-methylbenzamide
CID 28938520
3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluoro-4-methylbenzamide
CID 60862529
3-amino-N-(4-bromo-2-chlorophenyl)-5-fluoro-4-methylbenzamide
CID 60862528
3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide
CID 60862351
4-bromo-N-(2-bromo-4-fluorophenyl)-3-fluorobenzamide
CID 47421840
3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-4-methylbenzamide
CID 107608760
3-amino-N-(2,6-dibromo-4-methylphenyl)-5-fluoro-4-methylbenzamide
CID 60861695
N-(2-bromo-4-fluorophenyl)-4-fluorobenzamide
CID 28938573
N-(2-bromo-4-fluorophenyl)-3-methyl-4-(methylamino)benzamide
CID 63210074
3-amino-N-(2,3-difluorophenyl)-5-fluoro-4-methylbenzamide
CID 61076065
3-amino-N-(5-bromo-2-cyanophenyl)-5-fluoro-4-methylbenzamide
CID 107796900

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-4-fluorophenyl)-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-amino-N-(2-bromo-4-fluorophenyl)-5-fluoro-4-methylbenzamide (CID 60861029) is 3-amino-N-(2-bromo-4-fluorophenyl)-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-(2-bromo-4-fluorophenyl)-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-amino-N-(2-bromo-4-fluorophenyl)-5-fluoro-4-methylbenzamide is Cc1c(N)cc(C(=O)Nc2ccc(F)cc2Br)cc1F.
What is the InChIKey of 3-amino-N-(2-bromo-4-fluorophenyl)-5-fluoro-4-methylbenzamide?
The InChIKey is QCCBXYWWNJGMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O/c1-7-11(17)4-8(5-12(7)18)14(20)19-13-3-2-9(16)6-10(13)15/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-(2-bromo-4-fluorophenyl)-5-fluoro-4-methylbenzamide?
3-amino-N-(2-bromo-4-fluorophenyl)-5-fluoro-4-methylbenzamide has a molecular weight of 341.16 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromo-4-fluorophenyl)-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 60861029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).