N-(4-bromo-3-fluorophenyl)-3-chloro-2-fluorobenzamide

C13H7BrClF2NO — CID 81002084

IUPACN-(4-bromo-3-fluorophenyl)-3-chloro-2-fluorobenzamide
SMILESO=C(Nc1ccc(Br)c(F)c1)c1cccc(Cl)c1F
InChIInChI=1S/C13H7BrClF2NO/c14-9-5-4-7(6-11(9)16)18-13(19)8-2-1-3-10(15)12(8)17/h1-6H,(H,18,19)
InChIKeySQADICUCGQGNDP-UHFFFAOYSA-N
MW346.56 g/mol
LogP4.63
Rot. Bonds2

About N-(4-bromo-3-fluorophenyl)-3-chloro-2-fluorobenzamide

N-(4-bromo-3-fluorophenyl)-3-chloro-2-fluorobenzamide (PubChem CID 81002084) has the molecular formula C13H7BrClF2NO and a molecular weight of 346.56 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-3-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-3-chloro-2-fluorobenzamide
PubChem CID81002084
Molecular FormulaC13H7BrClF2NO
Molecular Weight346.56 g/mol
Exact Mass344.94
IUPAC NameN-(4-bromo-3-fluorophenyl)-3-chloro-2-fluorobenzamide
SMILESO=C(Nc1ccc(Br)c(F)c1)c1cccc(Cl)c1F
InChIInChI=1S/C13H7BrClF2NO/c14-9-5-4-7(6-11(9)16)18-13(19)8-2-1-3-10(15)12(8)17/h1-6H,(H,18,19)
InChIKeySQADICUCGQGNDP-UHFFFAOYSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.56
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(4-bromo-3-fluorophenyl)-2-chlorobenzamide
CID 113402951
N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65436517
2-bromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 47227901
N-(4-aminophenyl)-3-chloro-2-fluorobenzamide
CID 81267741
3-chloro-N-(3,4-dicyanophenyl)-2-fluorobenzamide
CID 103774874
3-bromo-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide
CID 106544218
3-chloro-N-[4-(chloromethyl)phenyl]-2-fluorobenzamide
CID 114299948
N-(4-amino-3-fluorophenyl)-3-bromo-2-fluorobenzamide
CID 107948876
N-(3,4-difluorophenyl)-2,3-difluorobenzamide
CID 62648495
N-(4-bromo-3-fluorophenyl)-3,6-dichloropyridazine-4-carboxamide
CID 114038522
N-(4-bromo-3-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 65436030
5-bromo-N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65438137

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-3-chloro-2-fluorobenzamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-3-chloro-2-fluorobenzamide (CID 81002084) is N-(4-bromo-3-fluorophenyl)-3-chloro-2-fluorobenzamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-3-chloro-2-fluorobenzamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-3-chloro-2-fluorobenzamide is O=C(Nc1ccc(Br)c(F)c1)c1cccc(Cl)c1F.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-3-chloro-2-fluorobenzamide?
The InChIKey is SQADICUCGQGNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClF2NO/c14-9-5-4-7(6-11(9)16)18-13(19)8-2-1-3-10(15)12(8)17/h1-6H,(H,18,19).
What are the key properties of N-(4-bromo-3-fluorophenyl)-3-chloro-2-fluorobenzamide?
N-(4-bromo-3-fluorophenyl)-3-chloro-2-fluorobenzamide has a molecular weight of 346.56 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-3-chloro-2-fluorobenzamide is sourced from PubChem (CID 81002084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).