3-amino-N-(3-bromo-4-methylphenyl)-2,5-difluorobenzamide

C14H11BrF2N2O — CID 107121059

IUPAC3-amino-N-(3-bromo-4-methylphenyl)-2,5-difluorobenzamide
SMILESCc1ccc(NC(=O)c2cc(F)cc(N)c2F)cc1Br
InChIInChI=1S/C14H11BrF2N2O/c1-7-2-3-9(6-11(7)15)19-14(20)10-4-8(16)5-12(18)13(10)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyPXUIRNMQXWYQOF-UHFFFAOYSA-N
MW341.16 g/mol
LogP3.87
Rot. Bonds2

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

3-amino-N-(3-bromo-4-methylphenyl)-2,5-difluorobenzamide (PubChem CID 107121059) has the molecular formula C14H11BrF2N2O and a molecular weight of 341.16 g/mol. Its IUPAC name is 3-amino-N-(3-bromo-4-methylphenyl)-2,5-difluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(3-bromo-4-methylphenyl)-2,5-difluorobenzamide
PubChem CID107121059
Molecular FormulaC14H11BrF2N2O
Molecular Weight341.16 g/mol
Exact Mass340.00
IUPAC Name3-amino-N-(3-bromo-4-methylphenyl)-2,5-difluorobenzamide
SMILESCc1ccc(NC(=O)c2cc(F)cc(N)c2F)cc1Br
InChIInChI=1S/C14H11BrF2N2O/c1-7-2-3-9(6-11(7)15)19-14(20)10-4-8(16)5-12(18)13(10)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyPXUIRNMQXWYQOF-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-2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 107699274
3-amino-N-(4-bromo-3-fluorophenyl)-2,5-difluorobenzamide
CID 107121167
3-amino-N-(4-bromo-3,5-dimethylphenyl)-2,5-difluorobenzamide
CID 107571068
3-amino-N-(3-bromo-4-methoxyphenyl)-2,5-difluorobenzamide
CID 107121176
3-amino-2,5-difluoro-N-(6-methyl-3-pyridinyl)benzamide
CID 107121288
3-amino-N-(2-bromo-4,6-dimethylphenyl)-2,5-difluorobenzamide
CID 107121286
2-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)benzamide
CID 43245678
N-(3-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide
CID 81481979
3-amino-N-(2-bromo-4,6-difluorophenyl)-2,5-difluorobenzamide
CID 107120482
3-bromo-N-(3-bromo-4-methylphenyl)-5-fluorobenzamide
CID 63529818
3-amino-N-(4-bromo-2,6-difluorophenyl)-2,5-difluorobenzamide
CID 107121169
2-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-fluorobenzamide
CID 115375820

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-bromo-4-methylphenyl)-2,5-difluorobenzamide?
The IUPAC name of 3-amino-N-(3-bromo-4-methylphenyl)-2,5-difluorobenzamide (CID 107121059) is 3-amino-N-(3-bromo-4-methylphenyl)-2,5-difluorobenzamide.
What is the SMILES notation for 3-amino-N-(3-bromo-4-methylphenyl)-2,5-difluorobenzamide?
The canonical SMILES for 3-amino-N-(3-bromo-4-methylphenyl)-2,5-difluorobenzamide is Cc1ccc(NC(=O)c2cc(F)cc(N)c2F)cc1Br.
What is the InChIKey of 3-amino-N-(3-bromo-4-methylphenyl)-2,5-difluorobenzamide?
The InChIKey is PXUIRNMQXWYQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O/c1-7-2-3-9(6-11(7)15)19-14(20)10-4-8(16)5-12(18)13(10)17/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-(3-bromo-4-methylphenyl)-2,5-difluorobenzamide?
3-amino-N-(3-bromo-4-methylphenyl)-2,5-difluorobenzamide 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-(3-bromo-4-methylphenyl)-2,5-difluorobenzamide is sourced from PubChem (CID 107121059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).