N-(4-bromo-2-methylphenyl)-2-fluoro-6-methoxybenzamide

C15H13BrFNO2 — CID 65434983

IUPACN-(4-bromo-2-methylphenyl)-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C15H13BrFNO2/c1-9-8-10(16)6-7-12(9)18-15(19)14-11(17)4-3-5-13(14)20-2/h3-8H,1-2H3,(H,18,19)
InChIKeyXVQUGNYAOJUHDO-UHFFFAOYSA-N
MW338.18 g/mol
LogP4.16
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-2-fluoro-6-methoxybenzamide

N-(4-bromo-2-methylphenyl)-2-fluoro-6-methoxybenzamide (PubChem CID 65434983) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-fluoro-6-methoxybenzamide
PubChem CID65434983
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC NameN-(4-bromo-2-methylphenyl)-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C15H13BrFNO2/c1-9-8-10(16)6-7-12(9)18-15(19)14-11(17)4-3-5-13(14)20-2/h3-8H,1-2H3,(H,18,19)
InChIKeyXVQUGNYAOJUHDO-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-ethylphenyl)-2-fluoro-6-methoxybenzamide
CID 81287800
2-amino-N-(4-bromo-2-methylphenyl)-6-methoxybenzamide
CID 81410020
N-(2-bromo-5-fluorophenyl)-2-fluoro-6-methoxybenzamide
CID 103756076
N-(2-bromophenyl)-2-fluoro-6-methoxybenzamide
CID 65432090
N-(5-bromo-2-methoxyphenyl)-2-chloro-6-fluorobenzamide
CID 47317659
2-fluoro-N-(4-fluoro-2-iodophenyl)-6-methoxybenzamide
CID 79766807
N-(2-bromo-5-chlorophenyl)-2-fluoro-6-methoxybenzamide
CID 81272722
2-fluoro-6-hydroxy-N-(4-methoxy-2-methylphenyl)benzamide
CID 104917345
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2515914
2-bromo-N-(2,4-dimethylphenyl)-6-fluorobenzamide
CID 113250689
N-(4-bromo-2-methylphenyl)-3-fluoro-2-(methylamino)benzamide
CID 62649691
N-(2-chloro-4-hydroxyphenyl)-2-fluoro-6-methoxybenzamide
CID 65434031

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-fluoro-6-methoxybenzamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-fluoro-6-methoxybenzamide (CID 65434983) is N-(4-bromo-2-methylphenyl)-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-fluoro-6-methoxybenzamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-fluoro-6-methoxybenzamide is COc1cccc(F)c1C(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-fluoro-6-methoxybenzamide?
The InChIKey is XVQUGNYAOJUHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c1-9-8-10(16)6-7-12(9)18-15(19)14-11(17)4-3-5-13(14)20-2/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-fluoro-6-methoxybenzamide?
N-(4-bromo-2-methylphenyl)-2-fluoro-6-methoxybenzamide has a molecular weight of 338.18 g/mol, XLogP of 4.16, 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-methylphenyl)-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 65434983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).