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

C13H8BrClF2N2O — CID 107120481

IUPAC3-amino-N-(4-bromo-2-chlorophenyl)-2,5-difluorobenzamide
SMILESNc1cc(F)cc(C(=O)Nc2ccc(Br)cc2Cl)c1F
InChIInChI=1S/C13H8BrClF2N2O/c14-6-1-2-11(9(15)3-6)19-13(20)8-4-7(16)5-10(18)12(8)17/h1-5H,18H2,(H,19,20)
InChIKeyDXPUJPNZFMUWMB-UHFFFAOYSA-N
MW361.57 g/mol
LogP4.22
Rot. Bonds2

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

3-amino-N-(4-bromo-2-chlorophenyl)-2,5-difluorobenzamide (PubChem CID 107120481) has the molecular formula C13H8BrClF2N2O and a molecular weight of 361.57 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-2-chlorophenyl)-2,5-difluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-2-chlorophenyl)-2,5-difluorobenzamide
PubChem CID107120481
Molecular FormulaC13H8BrClF2N2O
Molecular Weight361.57 g/mol
Exact Mass359.95
IUPAC Name3-amino-N-(4-bromo-2-chlorophenyl)-2,5-difluorobenzamide
SMILESNc1cc(F)cc(C(=O)Nc2ccc(Br)cc2Cl)c1F
InChIInChI=1S/C13H8BrClF2N2O/c14-6-1-2-11(9(15)3-6)19-13(20)8-4-7(16)5-10(18)12(8)17/h1-5H,18H2,(H,19,20)
InChIKeyDXPUJPNZFMUWMB-UHFFFAOYSA-N
XLogP4.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.57
LogP ≤ 54.22
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-3-chlorophenyl)-2,5-difluorobenzamide
CID 107121554
5-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347151
N-(4-bromo-2-chlorophenyl)-2-chloro-4,5-difluorobenzamide
CID 3993061
4-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347149
5-amino-N-(4-bromo-2-chlorophenyl)-2,4-dimethylbenzamide
CID 102704991
2-amino-N-(5-bromo-2-chlorophenyl)-5-fluorobenzamide
CID 62914100
2-amino-N-(4-bromo-2-chlorophenyl)-5-methylbenzamide
CID 62509847
N-(4-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43378801
3-amino-N-(4-bromo-2,6-difluorophenyl)-2,5-difluorobenzamide
CID 107121169
4-bromo-N-(4-bromo-2-chlorophenyl)-2-hydroxybenzamide
CID 63524501
3-amino-N-(4-bromo-2-chlorophenyl)-5-fluoro-4-methylbenzamide
CID 60862528

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-2-chlorophenyl)-2,5-difluorobenzamide?
The IUPAC name of 3-amino-N-(4-bromo-2-chlorophenyl)-2,5-difluorobenzamide (CID 107120481) is 3-amino-N-(4-bromo-2-chlorophenyl)-2,5-difluorobenzamide.
What is the SMILES notation for 3-amino-N-(4-bromo-2-chlorophenyl)-2,5-difluorobenzamide?
The canonical SMILES for 3-amino-N-(4-bromo-2-chlorophenyl)-2,5-difluorobenzamide is Nc1cc(F)cc(C(=O)Nc2ccc(Br)cc2Cl)c1F.
What is the InChIKey of 3-amino-N-(4-bromo-2-chlorophenyl)-2,5-difluorobenzamide?
The InChIKey is DXPUJPNZFMUWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClF2N2O/c14-6-1-2-11(9(15)3-6)19-13(20)8-4-7(16)5-10(18)12(8)17/h1-5H,18H2,(H,19,20).
What are the key properties of 3-amino-N-(4-bromo-2-chlorophenyl)-2,5-difluorobenzamide?
3-amino-N-(4-bromo-2-chlorophenyl)-2,5-difluorobenzamide has a molecular weight of 361.57 g/mol, XLogP of 4.22, 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-chlorophenyl)-2,5-difluorobenzamide is sourced from PubChem (CID 107120481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).