4-bromo-N-(4-fluoro-2-methoxyphenyl)-3,5-dimethoxybenzamide

C16H15BrFNO4 — CID 32610623

IUPAC4-bromo-N-(4-fluoro-2-methoxyphenyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(F)ccc1NC(=O)c1cc(OC)c(Br)c(OC)c1
InChIInChI=1S/C16H15BrFNO4/c1-21-12-8-10(18)4-5-11(12)19-16(20)9-6-13(22-2)15(17)14(7-9)23-3/h4-8H,1-3H3,(H,19,20)
InChIKeyNLWQCDZBHFCTBC-UHFFFAOYSA-N
MW384.20 g/mol
LogP3.87
Rot. Bonds5

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

4-bromo-N-(4-fluoro-2-methoxyphenyl)-3,5-dimethoxybenzamide (PubChem CID 32610623) has the molecular formula C16H15BrFNO4 and a molecular weight of 384.20 g/mol. Its IUPAC name is 4-bromo-N-(4-fluoro-2-methoxyphenyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(4-fluoro-2-methoxyphenyl)-3,5-dimethoxybenzamide
PubChem CID32610623
Molecular FormulaC16H15BrFNO4
Molecular Weight384.20 g/mol
Exact Mass383.02
IUPAC Name4-bromo-N-(4-fluoro-2-methoxyphenyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(F)ccc1NC(=O)c1cc(OC)c(Br)c(OC)c1
InChIInChI=1S/C16H15BrFNO4/c1-21-12-8-10(18)4-5-11(12)19-16(20)9-6-13(22-2)15(17)14(7-9)23-3/h4-8H,1-3H3,(H,19,20)
InChIKeyNLWQCDZBHFCTBC-UHFFFAOYSA-N
XLogP3.87
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.20
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(2,4-difluorophenyl)-3,5-dimethoxybenzamide
CID 26586057
3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide
CID 86926604
4-amino-3,5-difluoro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 63185657
4-bromo-N-(4-fluoro-2-methoxyphenyl)-3-methylbenzamide
CID 115769609
N-(4-fluoro-2-methoxyphenyl)-4-sulfanylbenzamide
CID 107025880
3,5-dibromo-N-(2-ethoxy-4-fluorophenyl)benzamide
CID 107980262
N-(4-fluoro-2-methoxyphenyl)-4-methylsulfonylbenzamide
CID 32608747
3-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 32608919
N-(4-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86926666
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
4-bromo-N-(2-chloro-4-methoxyphenyl)-3,5-dimethoxybenzamide
CID 60597741
2-bromo-4-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 103763825

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-fluoro-2-methoxyphenyl)-3,5-dimethoxybenzamide?
The IUPAC name of 4-bromo-N-(4-fluoro-2-methoxyphenyl)-3,5-dimethoxybenzamide (CID 32610623) is 4-bromo-N-(4-fluoro-2-methoxyphenyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-bromo-N-(4-fluoro-2-methoxyphenyl)-3,5-dimethoxybenzamide?
The canonical SMILES for 4-bromo-N-(4-fluoro-2-methoxyphenyl)-3,5-dimethoxybenzamide is COc1cc(F)ccc1NC(=O)c1cc(OC)c(Br)c(OC)c1.
What is the InChIKey of 4-bromo-N-(4-fluoro-2-methoxyphenyl)-3,5-dimethoxybenzamide?
The InChIKey is NLWQCDZBHFCTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO4/c1-21-12-8-10(18)4-5-11(12)19-16(20)9-6-13(22-2)15(17)14(7-9)23-3/h4-8H,1-3H3,(H,19,20).
What are the key properties of 4-bromo-N-(4-fluoro-2-methoxyphenyl)-3,5-dimethoxybenzamide?
4-bromo-N-(4-fluoro-2-methoxyphenyl)-3,5-dimethoxybenzamide has a molecular weight of 384.20 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-fluoro-2-methoxyphenyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 32610623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).