N-(4-amino-2,6-dibromophenyl)-3-chloro-4-fluorobenzamide

C13H8Br2ClFN2O — CID 82874501

IUPACN-(4-amino-2,6-dibromophenyl)-3-chloro-4-fluorobenzamide
SMILESNc1cc(Br)c(NC(=O)c2ccc(F)c(Cl)c2)c(Br)c1
InChIInChI=1S/C13H8Br2ClFN2O/c14-8-4-7(18)5-9(15)12(8)19-13(20)6-1-2-11(17)10(16)3-6/h1-5H,18H2,(H,19,20)
InChIKeyYZDCVQPVWNISEP-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.84
Rot. Bonds2

About N-(4-amino-2,6-dibromophenyl)-3-chloro-4-fluorobenzamide

N-(4-amino-2,6-dibromophenyl)-3-chloro-4-fluorobenzamide (PubChem CID 82874501) has the molecular formula C13H8Br2ClFN2O and a molecular weight of 422.48 g/mol. Its IUPAC name is N-(4-amino-2,6-dibromophenyl)-3-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dibromophenyl)-3-chloro-4-fluorobenzamide
PubChem CID82874501
Molecular FormulaC13H8Br2ClFN2O
Molecular Weight422.48 g/mol
Exact Mass419.87
IUPAC NameN-(4-amino-2,6-dibromophenyl)-3-chloro-4-fluorobenzamide
SMILESNc1cc(Br)c(NC(=O)c2ccc(F)c(Cl)c2)c(Br)c1
InChIInChI=1S/C13H8Br2ClFN2O/c14-8-4-7(18)5-9(15)12(8)19-13(20)6-1-2-11(17)10(16)3-6/h1-5H,18H2,(H,19,20)
InChIKeyYZDCVQPVWNISEP-UHFFFAOYSA-N
XLogP4.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.84
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

N-(2-amino-4,6-difluorophenyl)-4-bromo-3-chlorobenzamide
CID 81313689
N-(2-bromo-5-fluorophenyl)-3-chloro-4-fluorobenzamide
CID 113264517
N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide
CID 82875366
3-amino-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide
CID 107596191
3-amino-4-fluoro-N-(2,4,6-trichlorophenyl)benzamide
CID 43436994
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-3-sulfanylbenzamide
CID 107617505
3-bromo-4-chloro-N-(2,4,6-tribromophenyl)benzamide
CID 107999237
3-amino-N-(2,6-dichloro-4-fluorophenyl)-4-fluorobenzamide
CID 83076280
4-bromo-3-chloro-N-(5-chloro-2-fluorophenyl)benzamide
CID 81308166
3-chloro-N-(2,6-dibromo-4-methylphenyl)-4-hydroxybenzamide
CID 28881639
N-(2-amino-4-chlorophenyl)-4-bromo-3-chlorobenzamide
CID 81290030
N-(2-bromo-6-fluorophenyl)-3-chloro-4-hydroxybenzamide
CID 107600810

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dibromophenyl)-3-chloro-4-fluorobenzamide?
The IUPAC name of N-(4-amino-2,6-dibromophenyl)-3-chloro-4-fluorobenzamide (CID 82874501) is N-(4-amino-2,6-dibromophenyl)-3-chloro-4-fluorobenzamide.
What is the SMILES notation for N-(4-amino-2,6-dibromophenyl)-3-chloro-4-fluorobenzamide?
The canonical SMILES for N-(4-amino-2,6-dibromophenyl)-3-chloro-4-fluorobenzamide is Nc1cc(Br)c(NC(=O)c2ccc(F)c(Cl)c2)c(Br)c1.
What is the InChIKey of N-(4-amino-2,6-dibromophenyl)-3-chloro-4-fluorobenzamide?
The InChIKey is YZDCVQPVWNISEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2ClFN2O/c14-8-4-7(18)5-9(15)12(8)19-13(20)6-1-2-11(17)10(16)3-6/h1-5H,18H2,(H,19,20).
What are the key properties of N-(4-amino-2,6-dibromophenyl)-3-chloro-4-fluorobenzamide?
N-(4-amino-2,6-dibromophenyl)-3-chloro-4-fluorobenzamide has a molecular weight of 422.48 g/mol, XLogP of 4.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dibromophenyl)-3-chloro-4-fluorobenzamide is sourced from PubChem (CID 82874501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).