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

C14H11BrF2N2O2 — CID 107121176

IUPAC3-amino-N-(3-bromo-4-methoxyphenyl)-2,5-difluorobenzamide
SMILESCOc1ccc(NC(=O)c2cc(F)cc(N)c2F)cc1Br
InChIInChI=1S/C14H11BrF2N2O2/c1-21-12-3-2-8(6-10(12)15)19-14(20)9-4-7(16)5-11(18)13(9)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyPCGAIUOSZKIOHZ-UHFFFAOYSA-N
MW357.15 g/mol
LogP3.57
Rot. Bonds3

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

3-amino-N-(3-bromo-4-methoxyphenyl)-2,5-difluorobenzamide (PubChem CID 107121176) has the molecular formula C14H11BrF2N2O2 and a molecular weight of 357.15 g/mol. Its IUPAC name is 3-amino-N-(3-bromo-4-methoxyphenyl)-2,5-difluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(3-bromo-4-methoxyphenyl)-2,5-difluorobenzamide
PubChem CID107121176
Molecular FormulaC14H11BrF2N2O2
Molecular Weight357.15 g/mol
Exact Mass356.00
IUPAC Name3-amino-N-(3-bromo-4-methoxyphenyl)-2,5-difluorobenzamide
SMILESCOc1ccc(NC(=O)c2cc(F)cc(N)c2F)cc1Br
InChIInChI=1S/C14H11BrF2N2O2/c1-21-12-3-2-8(6-10(12)15)19-14(20)9-4-7(16)5-11(18)13(9)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyPCGAIUOSZKIOHZ-UHFFFAOYSA-N
XLogP3.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(3-bromo-4-methylphenyl)-2,5-difluorobenzamide
CID 107121059
3-amino-N-(4-bromo-3-fluorophenyl)-2,5-difluorobenzamide
CID 107121167
N-(3-bromo-4-methoxyphenyl)-2-fluoro-3-methylbenzamide
CID 80712346
3-amino-2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 107699274
3-amino-N-(4-bromo-3,5-dimethylphenyl)-2,5-difluorobenzamide
CID 107571068
N-(3-bromo-4-methoxyphenyl)-2-fluoro-5-methylbenzamide
CID 63999813
2-amino-4-fluoro-N-(3-fluoro-4-methoxyphenyl)benzamide
CID 63109763
3-amino-2,5-difluoro-N-(6-methyl-3-pyridinyl)benzamide
CID 107121288
2-amino-4-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114836981
N-(3-amino-4-methoxyphenyl)-2,4,6-trifluorobenzamide
CID 65100627
4-bromo-N-(3-bromo-4-methoxyphenyl)-3-fluorobenzamide
CID 63997805
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
CID 115661540

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-bromo-4-methoxyphenyl)-2,5-difluorobenzamide?
The IUPAC name of 3-amino-N-(3-bromo-4-methoxyphenyl)-2,5-difluorobenzamide (CID 107121176) is 3-amino-N-(3-bromo-4-methoxyphenyl)-2,5-difluorobenzamide.
What is the SMILES notation for 3-amino-N-(3-bromo-4-methoxyphenyl)-2,5-difluorobenzamide?
The canonical SMILES for 3-amino-N-(3-bromo-4-methoxyphenyl)-2,5-difluorobenzamide is COc1ccc(NC(=O)c2cc(F)cc(N)c2F)cc1Br.
What is the InChIKey of 3-amino-N-(3-bromo-4-methoxyphenyl)-2,5-difluorobenzamide?
The InChIKey is PCGAIUOSZKIOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O2/c1-21-12-3-2-8(6-10(12)15)19-14(20)9-4-7(16)5-11(18)13(9)17/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-(3-bromo-4-methoxyphenyl)-2,5-difluorobenzamide?
3-amino-N-(3-bromo-4-methoxyphenyl)-2,5-difluorobenzamide has a molecular weight of 357.15 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-bromo-4-methoxyphenyl)-2,5-difluorobenzamide is sourced from PubChem (CID 107121176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).