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

C13H8BrClF2N2O — CID 62913368

IUPAC2-amino-N-(5-bromo-2-chlorophenyl)-4,5-difluorobenzamide
SMILESNc1cc(F)c(F)cc1C(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C13H8BrClF2N2O/c14-6-1-2-8(15)12(3-6)19-13(20)7-4-9(16)10(17)5-11(7)18/h1-5H,18H2,(H,19,20)
InChIKeyCQAKXCGQZBLUQL-UHFFFAOYSA-N
MW361.57 g/mol
LogP4.22
Rot. Bonds2

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

2-amino-N-(5-bromo-2-chlorophenyl)-4,5-difluorobenzamide (PubChem CID 62913368) has the molecular formula C13H8BrClF2N2O and a molecular weight of 361.57 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-2-chlorophenyl)-4,5-difluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-2-chlorophenyl)-4,5-difluorobenzamide
PubChem CID62913368
Molecular FormulaC13H8BrClF2N2O
Molecular Weight361.57 g/mol
Exact Mass359.95
IUPAC Name2-amino-N-(5-bromo-2-chlorophenyl)-4,5-difluorobenzamide
SMILESNc1cc(F)c(F)cc1C(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C13H8BrClF2N2O/c14-6-1-2-8(15)12(3-6)19-13(20)7-4-9(16)10(17)5-11(7)18/h1-5H,18H2,(H,19,20)
InChIKeyCQAKXCGQZBLUQL-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

2-amino-N-(5-bromo-2-chlorophenyl)-5-fluorobenzamide
CID 62914100
2-amino-4-bromo-N-(2,5-dichlorophenyl)benzamide
CID 79715050
2-amino-N-(5-bromo-2-chlorophenyl)-5-methylbenzamide
CID 62908448
2-amino-N-(2-bromo-3-chlorophenyl)-4,5-difluorobenzamide
CID 103477239
5-amino-N-(5-bromo-2-chlorophenyl)-2,4-dimethylbenzamide
CID 102705529
N-(5-amino-2,4-difluorophenyl)-5-bromo-2-chlorobenzamide
CID 43549777
4-amino-N-(5-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 62915746
N-(5-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43548736
N-(4-bromo-2-chlorophenyl)-2-chloro-4,5-difluorobenzamide
CID 3993061
N-(5-bromo-2-chlorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298791
3-amino-N-(5-bromo-2-chlorophenyl)-2-nitrobenzamide
CID 115548977
N-(5-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzamide
CID 80711881

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-2-chlorophenyl)-4,5-difluorobenzamide?
The IUPAC name of 2-amino-N-(5-bromo-2-chlorophenyl)-4,5-difluorobenzamide (CID 62913368) is 2-amino-N-(5-bromo-2-chlorophenyl)-4,5-difluorobenzamide.
What is the SMILES notation for 2-amino-N-(5-bromo-2-chlorophenyl)-4,5-difluorobenzamide?
The canonical SMILES for 2-amino-N-(5-bromo-2-chlorophenyl)-4,5-difluorobenzamide is Nc1cc(F)c(F)cc1C(=O)Nc1cc(Br)ccc1Cl.
What is the InChIKey of 2-amino-N-(5-bromo-2-chlorophenyl)-4,5-difluorobenzamide?
The InChIKey is CQAKXCGQZBLUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClF2N2O/c14-6-1-2-8(15)12(3-6)19-13(20)7-4-9(16)10(17)5-11(7)18/h1-5H,18H2,(H,19,20).
What are the key properties of 2-amino-N-(5-bromo-2-chlorophenyl)-4,5-difluorobenzamide?
2-amino-N-(5-bromo-2-chlorophenyl)-4,5-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 2-amino-N-(5-bromo-2-chlorophenyl)-4,5-difluorobenzamide is sourced from PubChem (CID 62913368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).