3-amino-N-(4-bromo-2,6-difluorophenyl)-2,5-difluorobenzamide

C13H7BrF4N2O — CID 107121169

IUPAC3-amino-N-(4-bromo-2,6-difluorophenyl)-2,5-difluorobenzamide
SMILESNc1cc(F)cc(C(=O)Nc2c(F)cc(Br)cc2F)c1F
InChIInChI=1S/C13H7BrF4N2O/c14-5-1-8(16)12(9(17)2-5)20-13(21)7-3-6(15)4-10(19)11(7)18/h1-4H,19H2,(H,20,21)
InChIKeyROVBAXVOETWOPA-UHFFFAOYSA-N
MW363.11 g/mol
LogP3.84
Rot. Bonds2

About 3-amino-N-(4-bromo-2,6-difluorophenyl)-2,5-difluorobenzamide

3-amino-N-(4-bromo-2,6-difluorophenyl)-2,5-difluorobenzamide (PubChem CID 107121169) has the molecular formula C13H7BrF4N2O and a molecular weight of 363.11 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-2,6-difluorophenyl)-2,5-difluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-2,6-difluorophenyl)-2,5-difluorobenzamide
PubChem CID107121169
Molecular FormulaC13H7BrF4N2O
Molecular Weight363.11 g/mol
Exact Mass361.97
IUPAC Name3-amino-N-(4-bromo-2,6-difluorophenyl)-2,5-difluorobenzamide
SMILESNc1cc(F)cc(C(=O)Nc2c(F)cc(Br)cc2F)c1F
InChIInChI=1S/C13H7BrF4N2O/c14-5-1-8(16)12(9(17)2-5)20-13(21)7-3-6(15)4-10(19)11(7)18/h1-4H,19H2,(H,20,21)
InChIKeyROVBAXVOETWOPA-UHFFFAOYSA-N
XLogP3.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.11
LogP ≤ 53.84
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-N-(4-bromo-2,6-dichlorophenyl)-2,5-difluorobenzamide
CID 107120471
3-amino-N-(2-bromo-4,6-difluorophenyl)-2,5-difluorobenzamide
CID 107120482
3-amino-N-(2-bromo-4,6-dimethylphenyl)-2,5-difluorobenzamide
CID 107121286
2,4-diamino-N-(4-bromo-2,6-difluorophenyl)benzamide
CID 65469243
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
4-amino-N-(4-bromo-2,6-difluorophenyl)pyridine-3-carboxamide
CID 81245018
3-amino-N-(4-bromo-2-chlorophenyl)-2,5-difluorobenzamide
CID 107120481
N-(4-bromo-2,6-difluorophenyl)-2,3-difluorobenzamide
CID 65469148
N-(4-bromo-2,6-difluorophenyl)-2,3,4-trifluorobenzamide
CID 79754685
3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methylbenzamide
CID 65469438
3-amino-N-(3-bromo-4-methylphenyl)-2,5-difluorobenzamide
CID 107121059

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-2,6-difluorophenyl)-2,5-difluorobenzamide?
The IUPAC name of 3-amino-N-(4-bromo-2,6-difluorophenyl)-2,5-difluorobenzamide (CID 107121169) is 3-amino-N-(4-bromo-2,6-difluorophenyl)-2,5-difluorobenzamide.
What is the SMILES notation for 3-amino-N-(4-bromo-2,6-difluorophenyl)-2,5-difluorobenzamide?
The canonical SMILES for 3-amino-N-(4-bromo-2,6-difluorophenyl)-2,5-difluorobenzamide is Nc1cc(F)cc(C(=O)Nc2c(F)cc(Br)cc2F)c1F.
What is the InChIKey of 3-amino-N-(4-bromo-2,6-difluorophenyl)-2,5-difluorobenzamide?
The InChIKey is ROVBAXVOETWOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF4N2O/c14-5-1-8(16)12(9(17)2-5)20-13(21)7-3-6(15)4-10(19)11(7)18/h1-4H,19H2,(H,20,21).
What are the key properties of 3-amino-N-(4-bromo-2,6-difluorophenyl)-2,5-difluorobenzamide?
3-amino-N-(4-bromo-2,6-difluorophenyl)-2,5-difluorobenzamide has a molecular weight of 363.11 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-bromo-2,6-difluorophenyl)-2,5-difluorobenzamide is sourced from PubChem (CID 107121169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).