N-(4-bromo-2-chlorophenyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide

C14H7BrClF4NO2 — CID 2239907

IUPACN-(4-bromo-2-chlorophenyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide
SMILESCOc1c(F)c(F)c(C(=O)Nc2ccc(Br)cc2Cl)c(F)c1F
InChIInChI=1S/C14H7BrClF4NO2/c1-23-13-11(19)9(17)8(10(18)12(13)20)14(22)21-7-3-2-5(15)4-6(7)16/h2-4H,1H3,(H,21,22)
InChIKeyZANWGRIQTNADHA-UHFFFAOYSA-N
MW412.56 g/mol
LogP4.92
Rot. Bonds3

About N-(4-bromo-2-chlorophenyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide

N-(4-bromo-2-chlorophenyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide (PubChem CID 2239907) has the molecular formula C14H7BrClF4NO2 and a molecular weight of 412.56 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide
PubChem CID2239907
Molecular FormulaC14H7BrClF4NO2
Molecular Weight412.56 g/mol
Exact Mass410.93
IUPAC NameN-(4-bromo-2-chlorophenyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide
SMILESCOc1c(F)c(F)c(C(=O)Nc2ccc(Br)cc2Cl)c(F)c1F
InChIInChI=1S/C14H7BrClF4NO2/c1-23-13-11(19)9(17)8(10(18)12(13)20)14(22)21-7-3-2-5(15)4-6(7)16/h2-4H,1H3,(H,21,22)
InChIKeyZANWGRIQTNADHA-UHFFFAOYSA-N
XLogP4.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide (CID 2239907) is N-(4-bromo-2-chlorophenyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide is COc1c(F)c(F)c(C(=O)Nc2ccc(Br)cc2Cl)c(F)c1F.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide?
The InChIKey is ZANWGRIQTNADHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClF4NO2/c1-23-13-11(19)9(17)8(10(18)12(13)20)14(22)21-7-3-2-5(15)4-6(7)16/h2-4H,1H3,(H,21,22).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide?
N-(4-bromo-2-chlorophenyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide has a molecular weight of 412.56 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide is sourced from PubChem (CID 2239907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).