4-amino-N-(2,4-dibromophenyl)-3,5-difluorobenzamide

C13H8Br2F2N2O — CID 63185804

IUPAC4-amino-N-(2,4-dibromophenyl)-3,5-difluorobenzamide
SMILESNc1c(F)cc(C(=O)Nc2ccc(Br)cc2Br)cc1F
InChIInChI=1S/C13H8Br2F2N2O/c14-7-1-2-11(8(15)5-7)19-13(20)6-3-9(16)12(18)10(17)4-6/h1-5H,18H2,(H,19,20)
InChIKeyRNUIDCIZSHYYDO-UHFFFAOYSA-N
MW406.02 g/mol
LogP4.32
Rot. Bonds2

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

4-amino-N-(2,4-dibromophenyl)-3,5-difluorobenzamide (PubChem CID 63185804) has the molecular formula C13H8Br2F2N2O and a molecular weight of 406.02 g/mol. Its IUPAC name is 4-amino-N-(2,4-dibromophenyl)-3,5-difluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(2,4-dibromophenyl)-3,5-difluorobenzamide
PubChem CID63185804
Molecular FormulaC13H8Br2F2N2O
Molecular Weight406.02 g/mol
Exact Mass403.90
IUPAC Name4-amino-N-(2,4-dibromophenyl)-3,5-difluorobenzamide
SMILESNc1c(F)cc(C(=O)Nc2ccc(Br)cc2Br)cc1F
InChIInChI=1S/C13H8Br2F2N2O/c14-7-1-2-11(8(15)5-7)19-13(20)6-3-9(16)12(18)10(17)4-6/h1-5H,18H2,(H,19,20)
InChIKeyRNUIDCIZSHYYDO-UHFFFAOYSA-N
XLogP4.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.02
LogP ≤ 54.32
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-bromo-N-(2,4-dibromophenyl)-4-fluorobenzamide
CID 107951894
4-amino-N-(5-bromo-2-methoxyphenyl)-3,5-difluorobenzamide
CID 63185721
4-bromo-N-(2,4-dibromophenyl)-2-fluorobenzamide
CID 26691585
3-amino-N-(2,4-dibromophenyl)-4-methylbenzamide
CID 43702662
3-amino-N-(2-bromo-4-fluorophenyl)-5-fluoro-4-methylbenzamide
CID 60861029
N-(2,4-dibromophenyl)-4-methylbenzamide
CID 2707201
N-(2,4-dibromophenyl)-2,3-difluorobenzamide
CID 55099912
N-(5-bromo-2-fluorophenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186568
5-acetamido-N-(2,4-dibromophenyl)-2-fluorobenzamide
CID 60564562
3-amino-N-(4-bromo-2-chlorophenyl)-5-fluoro-4-methylbenzamide
CID 60862528
4-bromo-N-(2-bromo-4-fluorophenyl)-3-fluorobenzamide
CID 47421840
2-amino-4-chloro-N-(2,4-dibromophenyl)benzamide
CID 61471749

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,4-dibromophenyl)-3,5-difluorobenzamide?
The IUPAC name of 4-amino-N-(2,4-dibromophenyl)-3,5-difluorobenzamide (CID 63185804) is 4-amino-N-(2,4-dibromophenyl)-3,5-difluorobenzamide.
What is the SMILES notation for 4-amino-N-(2,4-dibromophenyl)-3,5-difluorobenzamide?
The canonical SMILES for 4-amino-N-(2,4-dibromophenyl)-3,5-difluorobenzamide is Nc1c(F)cc(C(=O)Nc2ccc(Br)cc2Br)cc1F.
What is the InChIKey of 4-amino-N-(2,4-dibromophenyl)-3,5-difluorobenzamide?
The InChIKey is RNUIDCIZSHYYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2F2N2O/c14-7-1-2-11(8(15)5-7)19-13(20)6-3-9(16)12(18)10(17)4-6/h1-5H,18H2,(H,19,20).
What are the key properties of 4-amino-N-(2,4-dibromophenyl)-3,5-difluorobenzamide?
4-amino-N-(2,4-dibromophenyl)-3,5-difluorobenzamide has a molecular weight of 406.02 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,4-dibromophenyl)-3,5-difluorobenzamide is sourced from PubChem (CID 63185804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).