4-amino-N-(3-bromo-5-methylphenyl)-2-fluorobenzamide

C14H12BrFN2O — CID 107581615

IUPAC4-amino-N-(3-bromo-5-methylphenyl)-2-fluorobenzamide
SMILESCc1cc(Br)cc(NC(=O)c2ccc(N)cc2F)c1
InChIInChI=1S/C14H12BrFN2O/c1-8-4-9(15)6-11(5-8)18-14(19)12-3-2-10(17)7-13(12)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyMZXZCZUTZONDQW-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.73
Rot. Bonds2

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

4-amino-N-(3-bromo-5-methylphenyl)-2-fluorobenzamide (PubChem CID 107581615) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is 4-amino-N-(3-bromo-5-methylphenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(3-bromo-5-methylphenyl)-2-fluorobenzamide
PubChem CID107581615
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC Name4-amino-N-(3-bromo-5-methylphenyl)-2-fluorobenzamide
SMILESCc1cc(Br)cc(NC(=O)c2ccc(N)cc2F)c1
InChIInChI=1S/C14H12BrFN2O/c1-8-4-9(15)6-11(5-8)18-14(19)12-3-2-10(17)7-13(12)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyMZXZCZUTZONDQW-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

4-amino-N-(3-bromo-5-methylphenyl)-2-methylbenzamide
CID 107578505
N-(3-bromo-5-methylphenyl)-2-fluoro-4-methylbenzamide
CID 107582986
4-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79050043
4-amino-2-chloro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79048624
5-amino-N-(3,5-dimethylphenyl)-2,4-difluorobenzamide
CID 61092080
4-amino-2-fluoro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide
CID 107794653
5-amino-N-(3-bromo-5-methylphenyl)-2,4-dimethylbenzamide
CID 107581692
5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzamide
CID 107571074
1-(4-amino-2-fluorophenyl)ethanone
CID 14621110
4-amino-2-fluoro-N-(3-methyl-4-nitrophenyl)benzamide
CID 107794431
2,4-dibromo-N-(3-fluoro-5-methylphenyl)benzamide
CID 113345345
2-amino-N-(3,5-dimethylphenyl)-3-fluorobenzamide
CID 62649761

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-bromo-5-methylphenyl)-2-fluorobenzamide?
The IUPAC name of 4-amino-N-(3-bromo-5-methylphenyl)-2-fluorobenzamide (CID 107581615) is 4-amino-N-(3-bromo-5-methylphenyl)-2-fluorobenzamide.
What is the SMILES notation for 4-amino-N-(3-bromo-5-methylphenyl)-2-fluorobenzamide?
The canonical SMILES for 4-amino-N-(3-bromo-5-methylphenyl)-2-fluorobenzamide is Cc1cc(Br)cc(NC(=O)c2ccc(N)cc2F)c1.
What is the InChIKey of 4-amino-N-(3-bromo-5-methylphenyl)-2-fluorobenzamide?
The InChIKey is MZXZCZUTZONDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c1-8-4-9(15)6-11(5-8)18-14(19)12-3-2-10(17)7-13(12)16/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-(3-bromo-5-methylphenyl)-2-fluorobenzamide?
4-amino-N-(3-bromo-5-methylphenyl)-2-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 4-amino-N-(3-bromo-5-methylphenyl)-2-fluorobenzamide is sourced from PubChem (CID 107581615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).