2-bromo-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide

C15H13BrFNO2 — CID 103853347

IUPAC2-bromo-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide
SMILESCOc1ccc(NC(=O)c2cccc(C)c2Br)cc1F
InChIInChI=1S/C15H13BrFNO2/c1-9-4-3-5-11(14(9)16)15(19)18-10-6-7-13(20-2)12(17)8-10/h3-8H,1-2H3,(H,18,19)
InChIKeyCIJSCMBWFTZKKW-UHFFFAOYSA-N
MW338.18 g/mol
LogP4.16
Rot. Bonds3

About 2-bromo-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide

2-bromo-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide (PubChem CID 103853347) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is 2-bromo-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide
PubChem CID103853347
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Name2-bromo-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide
SMILESCOc1ccc(NC(=O)c2cccc(C)c2Br)cc1F
InChIInChI=1S/C15H13BrFNO2/c1-9-4-3-5-11(14(9)16)15(19)18-10-6-7-13(20-2)12(17)8-10/h3-8H,1-2H3,(H,18,19)
InChIKeyCIJSCMBWFTZKKW-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

Analyze 2-bromo-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide
CID 43380395
N-(3-bromo-4-methoxyphenyl)-2-fluoro-3-methylbenzamide
CID 80712346
2-amino-3-fluoro-N-(3-fluoro-4-methoxyphenyl)benzamide
CID 62661511
N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide
CID 110776470
2-bromo-N-(2-methoxy-5-methylphenyl)-3-methylbenzamide
CID 103852727
2,5-dichloro-N-(3-fluoro-4-methoxyphenyl)-4-methoxybenzamide
CID 167851526
2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzamide
CID 103853431
N-(3-fluoro-4-methoxyphenyl)-2-hydroxy-5-methylbenzamide
CID 43381005
2-amino-N-(3-fluoro-4-methoxyphenyl)pyridine-3-carboxamide
CID 62156147
2-bromo-N-(3,5-dichloro-4-fluorophenyl)-3-methylbenzamide
CID 107982641
N-(4-chloro-3-methoxyphenyl)-2-fluoro-3-methylbenzamide
CID 107271805
3-bromo-2-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 106544979

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide?
The IUPAC name of 2-bromo-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide (CID 103853347) is 2-bromo-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide?
The canonical SMILES for 2-bromo-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide is COc1ccc(NC(=O)c2cccc(C)c2Br)cc1F.
What is the InChIKey of 2-bromo-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide?
The InChIKey is CIJSCMBWFTZKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c1-9-4-3-5-11(14(9)16)15(19)18-10-6-7-13(20-2)12(17)8-10/h3-8H,1-2H3,(H,18,19).
What are the key properties of 2-bromo-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide?
2-bromo-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide 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 2-bromo-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide is sourced from PubChem (CID 103853347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).