N-(2-bromo-3-methylphenyl)-2-fluoro-4-methoxybenzamide

C15H13BrFNO2 — CID 104870934

IUPACN-(2-bromo-3-methylphenyl)-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C)c2Br)c(F)c1
InChIInChI=1S/C15H13BrFNO2/c1-9-4-3-5-13(14(9)16)18-15(19)11-7-6-10(20-2)8-12(11)17/h3-8H,1-2H3,(H,18,19)
InChIKeyQBKBFSIFCUULLB-UHFFFAOYSA-N
MW338.18 g/mol
LogP4.16
Rot. Bonds3

About N-(2-bromo-3-methylphenyl)-2-fluoro-4-methoxybenzamide

N-(2-bromo-3-methylphenyl)-2-fluoro-4-methoxybenzamide (PubChem CID 104870934) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is N-(2-bromo-3-methylphenyl)-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-bromo-3-methylphenyl)-2-fluoro-4-methoxybenzamide
PubChem CID104870934
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC NameN-(2-bromo-3-methylphenyl)-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C)c2Br)c(F)c1
InChIInChI=1S/C15H13BrFNO2/c1-9-4-3-5-13(14(9)16)18-15(19)11-7-6-10(20-2)8-12(11)17/h3-8H,1-2H3,(H,18,19)
InChIKeyQBKBFSIFCUULLB-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

ethyl N-[3-[(2-fluoro-4-methoxybenzoyl)amino]-2-methylphenyl]carbamate
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2-fluoro-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide
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2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-methoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methylphenyl)-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-(2-bromo-3-methylphenyl)-2-fluoro-4-methoxybenzamide (CID 104870934) is N-(2-bromo-3-methylphenyl)-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(2-bromo-3-methylphenyl)-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(2-bromo-3-methylphenyl)-2-fluoro-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(C)c2Br)c(F)c1.
What is the InChIKey of N-(2-bromo-3-methylphenyl)-2-fluoro-4-methoxybenzamide?
The InChIKey is QBKBFSIFCUULLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c1-9-4-3-5-13(14(9)16)18-15(19)11-7-6-10(20-2)8-12(11)17/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(2-bromo-3-methylphenyl)-2-fluoro-4-methoxybenzamide?
N-(2-bromo-3-methylphenyl)-2-fluoro-4-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-(2-bromo-3-methylphenyl)-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 104870934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).