N-(4-bromo-2-fluorophenyl)-2,6-dichlorobenzamide

C13H7BrCl2FNO — CID 1279612

IUPACN-(4-bromo-2-fluorophenyl)-2,6-dichlorobenzamide
SMILESO=C(Nc1ccc(Br)cc1F)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H7BrCl2FNO/c14-7-4-5-11(10(17)6-7)18-13(19)12-8(15)2-1-3-9(12)16/h1-6H,(H,18,19)
InChIKeyXFHAUSWKGNHGSE-UHFFFAOYSA-N
MW363.01 g/mol
LogP5.15
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)-2,6-dichlorobenzamide

N-(4-bromo-2-fluorophenyl)-2,6-dichlorobenzamide (PubChem CID 1279612) has the molecular formula C13H7BrCl2FNO and a molecular weight of 363.01 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2,6-dichlorobenzamide
PubChem CID1279612
Molecular FormulaC13H7BrCl2FNO
Molecular Weight363.01 g/mol
Exact Mass360.91
IUPAC NameN-(4-bromo-2-fluorophenyl)-2,6-dichlorobenzamide
SMILESO=C(Nc1ccc(Br)cc1F)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H7BrCl2FNO/c14-7-4-5-11(10(17)6-7)18-13(19)12-8(15)2-1-3-9(12)16/h1-6H,(H,18,19)
InChIKeyXFHAUSWKGNHGSE-UHFFFAOYSA-N
XLogP5.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.01
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-chloro-6-nitrobenzamide
CID 63658381
N-(4-bromo-2-cyanophenyl)-2-chloro-6-fluorobenzamide
CID 82707621
4-bromo-2-[(2-chloro-6-fluorobenzoyl)amino]benzoic acid
CID 60916637
N-(5-bromo-2-methoxyphenyl)-2-chloro-6-fluorobenzamide
CID 47317659
2,6-dichloro-N-(2,4-dichlorophenyl)benzamide
CID 3637585
N-(4-bromo-2-fluorophenyl)-3-(2-chlorophenyl)prop-2-enamide
CID 4156225
2-bromo-N-(4-bromo-2-fluorophenyl)-4-chlorobenzamide
CID 103763204
N-(4-bromo-2-fluorophenyl)-2-oxoacetamide
CID 146561302
N-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-2-chlorobenzamide
CID 7959132
2,5-dibromo-N-(4-chloro-2-fluorophenyl)benzamide
CID 114370697
5-bromo-2-chloro-N-(3-chloro-2-fluorophenyl)benzamide
CID 26897422
N-(4-bromo-2-fluorophenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19503044

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2,6-dichlorobenzamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2,6-dichlorobenzamide (CID 1279612) is N-(4-bromo-2-fluorophenyl)-2,6-dichlorobenzamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2,6-dichlorobenzamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2,6-dichlorobenzamide is O=C(Nc1ccc(Br)cc1F)c1c(Cl)cccc1Cl.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2,6-dichlorobenzamide?
The InChIKey is XFHAUSWKGNHGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2FNO/c14-7-4-5-11(10(17)6-7)18-13(19)12-8(15)2-1-3-9(12)16/h1-6H,(H,18,19).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2,6-dichlorobenzamide?
N-(4-bromo-2-fluorophenyl)-2,6-dichlorobenzamide has a molecular weight of 363.01 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2,6-dichlorobenzamide is sourced from PubChem (CID 1279612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).