3-bromo-N-(3,5-dimethoxy-4-methylphenyl)-4-fluorobenzamide

C16H15BrFNO3 — CID 167951842

IUPAC3-bromo-N-(3,5-dimethoxy-4-methylphenyl)-4-fluorobenzamide
SMILESCOc1cc(NC(=O)c2ccc(F)c(Br)c2)cc(OC)c1C
InChIInChI=1S/C16H15BrFNO3/c1-9-14(21-2)7-11(8-15(9)22-3)19-16(20)10-4-5-13(18)12(17)6-10/h4-8H,1-3H3,(H,19,20)
InChIKeyBUWPDOKJHOVWEV-UHFFFAOYSA-N
MW368.20 g/mol
LogP4.17
Rot. Bonds4

About 3-bromo-N-(3,5-dimethoxy-4-methylphenyl)-4-fluorobenzamide

3-bromo-N-(3,5-dimethoxy-4-methylphenyl)-4-fluorobenzamide (PubChem CID 167951842) has the molecular formula C16H15BrFNO3 and a molecular weight of 368.20 g/mol. Its IUPAC name is 3-bromo-N-(3,5-dimethoxy-4-methylphenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(3,5-dimethoxy-4-methylphenyl)-4-fluorobenzamide
PubChem CID167951842
Molecular FormulaC16H15BrFNO3
Molecular Weight368.20 g/mol
Exact Mass367.02
IUPAC Name3-bromo-N-(3,5-dimethoxy-4-methylphenyl)-4-fluorobenzamide
SMILESCOc1cc(NC(=O)c2ccc(F)c(Br)c2)cc(OC)c1C
InChIInChI=1S/C16H15BrFNO3/c1-9-14(21-2)7-11(8-15(9)22-3)19-16(20)10-4-5-13(18)12(17)6-10/h4-8H,1-3H3,(H,19,20)
InChIKeyBUWPDOKJHOVWEV-UHFFFAOYSA-N
XLogP4.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.20
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
CID 115661540
3-bromo-N-(3,5-dimethoxyphenyl)-4-fluorobenzamide
CID 103706313
3-bromo-4-methoxy-N-(3,4,5-trifluorophenyl)benzamide
CID 62814066
4-bromo-N-(4-bromo-3-methoxyphenyl)-3-fluorobenzamide
CID 82867341
methyl 3-[(3-bromo-4-fluorobenzoyl)amino]benzoate
CID 103706368
N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 115661442
4-bromo-N-(3-bromo-4-methoxyphenyl)-3-fluorobenzamide
CID 63997805
N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide
CID 63212434
3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-fluorobenzamide
CID 103706990
N-(4-bromo-3-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 103824600
3-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide
CID 104854951
N-(3,5-dichlorophenyl)-3-fluoro-4-methoxybenzamide
CID 27844181

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3,5-dimethoxy-4-methylphenyl)-4-fluorobenzamide?
The IUPAC name of 3-bromo-N-(3,5-dimethoxy-4-methylphenyl)-4-fluorobenzamide (CID 167951842) is 3-bromo-N-(3,5-dimethoxy-4-methylphenyl)-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(3,5-dimethoxy-4-methylphenyl)-4-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(3,5-dimethoxy-4-methylphenyl)-4-fluorobenzamide is COc1cc(NC(=O)c2ccc(F)c(Br)c2)cc(OC)c1C.
What is the InChIKey of 3-bromo-N-(3,5-dimethoxy-4-methylphenyl)-4-fluorobenzamide?
The InChIKey is BUWPDOKJHOVWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO3/c1-9-14(21-2)7-11(8-15(9)22-3)19-16(20)10-4-5-13(18)12(17)6-10/h4-8H,1-3H3,(H,19,20).
What are the key properties of 3-bromo-N-(3,5-dimethoxy-4-methylphenyl)-4-fluorobenzamide?
3-bromo-N-(3,5-dimethoxy-4-methylphenyl)-4-fluorobenzamide has a molecular weight of 368.20 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3,5-dimethoxy-4-methylphenyl)-4-fluorobenzamide is sourced from PubChem (CID 167951842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).