3-bromo-N-(4-fluorophenyl)-2,5-dimethoxybenzamide

C15H13BrFNO3 — CID 24640379

IUPAC3-bromo-N-(4-fluorophenyl)-2,5-dimethoxybenzamide
SMILESCOc1cc(Br)c(OC)c(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C15H13BrFNO3/c1-20-11-7-12(14(21-2)13(16)8-11)15(19)18-10-5-3-9(17)4-6-10/h3-8H,1-2H3,(H,18,19)
InChIKeyABNPEGKDUUNTJZ-UHFFFAOYSA-N
MW354.18 g/mol
LogP3.86
Rot. Bonds4

About 3-bromo-N-(4-fluorophenyl)-2,5-dimethoxybenzamide

3-bromo-N-(4-fluorophenyl)-2,5-dimethoxybenzamide (PubChem CID 24640379) has the molecular formula C15H13BrFNO3 and a molecular weight of 354.18 g/mol. Its IUPAC name is 3-bromo-N-(4-fluorophenyl)-2,5-dimethoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(4-fluorophenyl)-2,5-dimethoxybenzamide
PubChem CID24640379
Molecular FormulaC15H13BrFNO3
Molecular Weight354.18 g/mol
Exact Mass353.01
IUPAC Name3-bromo-N-(4-fluorophenyl)-2,5-dimethoxybenzamide
SMILESCOc1cc(Br)c(OC)c(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C15H13BrFNO3/c1-20-11-7-12(14(21-2)13(16)8-11)15(19)18-10-5-3-9(17)4-6-10/h3-8H,1-2H3,(H,18,19)
InChIKeyABNPEGKDUUNTJZ-UHFFFAOYSA-N
XLogP3.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.18
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N-(4-fluorophenyl)-2,5-dimethoxybenzamide 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

3-bromo-N-(3,4-dimethoxyphenyl)-2,5-dimethoxybenzamide
CID 17493489
3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide
CID 5142163
2-bromo-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 9191814
3-bromo-5-chloro-N-(4-chlorophenyl)-2-methoxybenzamide
CID 67556921
3-bromo-N,2,5-trimethoxybenzamide
CID 60713137
2-amino-N-(4-fluorophenyl)-4-methoxybenzamide
CID 82547001
3-fluoro-N-(4-fluorophenyl)-2-methoxybenzamide
CID 175986233
N-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide
CID 112986846
N-(4-fluorophenyl)-5-methoxy-2-nitrobenzamide
CID 47844867
N-(3-bromo-4-fluorophenyl)-2,5-dimethoxybenzamide
CID 115661440
3-fluoro-5-[(4-fluorophenyl)carbamoyl]-4-methoxybenzenesulfonyl chloride
CID 146256054
N-(3,5-dimethoxyphenyl)-2,5-difluorobenzamide
CID 17400602

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-fluorophenyl)-2,5-dimethoxybenzamide?
The IUPAC name of 3-bromo-N-(4-fluorophenyl)-2,5-dimethoxybenzamide (CID 24640379) is 3-bromo-N-(4-fluorophenyl)-2,5-dimethoxybenzamide.
What is the SMILES notation for 3-bromo-N-(4-fluorophenyl)-2,5-dimethoxybenzamide?
The canonical SMILES for 3-bromo-N-(4-fluorophenyl)-2,5-dimethoxybenzamide is COc1cc(Br)c(OC)c(C(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 3-bromo-N-(4-fluorophenyl)-2,5-dimethoxybenzamide?
The InChIKey is ABNPEGKDUUNTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO3/c1-20-11-7-12(14(21-2)13(16)8-11)15(19)18-10-5-3-9(17)4-6-10/h3-8H,1-2H3,(H,18,19).
What are the key properties of 3-bromo-N-(4-fluorophenyl)-2,5-dimethoxybenzamide?
3-bromo-N-(4-fluorophenyl)-2,5-dimethoxybenzamide has a molecular weight of 354.18 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-fluorophenyl)-2,5-dimethoxybenzamide is sourced from PubChem (CID 24640379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).