4-bromo-N-(4-bromo-3-methoxyphenyl)-3-fluorobenzamide

C14H10Br2FNO2 — CID 82867341

IUPAC4-bromo-N-(4-bromo-3-methoxyphenyl)-3-fluorobenzamide
SMILESCOc1cc(NC(=O)c2ccc(Br)c(F)c2)ccc1Br
InChIInChI=1S/C14H10Br2FNO2/c1-20-13-7-9(3-5-11(13)16)18-14(19)8-2-4-10(15)12(17)6-8/h2-7H,1H3,(H,18,19)
InChIKeyURQCATAOMFQKPJ-UHFFFAOYSA-N
MW403.05 g/mol
LogP4.61
Rot. Bonds3

About 4-bromo-N-(4-bromo-3-methoxyphenyl)-3-fluorobenzamide

4-bromo-N-(4-bromo-3-methoxyphenyl)-3-fluorobenzamide (PubChem CID 82867341) has the molecular formula C14H10Br2FNO2 and a molecular weight of 403.05 g/mol. Its IUPAC name is 4-bromo-N-(4-bromo-3-methoxyphenyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(4-bromo-3-methoxyphenyl)-3-fluorobenzamide
PubChem CID82867341
Molecular FormulaC14H10Br2FNO2
Molecular Weight403.05 g/mol
Exact Mass400.91
IUPAC Name4-bromo-N-(4-bromo-3-methoxyphenyl)-3-fluorobenzamide
SMILESCOc1cc(NC(=O)c2ccc(Br)c(F)c2)ccc1Br
InChIInChI=1S/C14H10Br2FNO2/c1-20-13-7-9(3-5-11(13)16)18-14(19)8-2-4-10(15)12(17)6-8/h2-7H,1H3,(H,18,19)
InChIKeyURQCATAOMFQKPJ-UHFFFAOYSA-N
XLogP4.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.05
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(3-bromo-4-methoxyphenyl)-3-fluorobenzamide
CID 63997805
4-amino-N-(4-bromo-3-methoxyphenyl)-3,5-difluorobenzamide
CID 82859976
4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198
3,5-dibromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 107980534
3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 79421204
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
CID 115661540
4-bromo-3-fluoro-N-(6-methoxy-3-pyridinyl)benzamide
CID 47421902
N-(4-bromo-3-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 103824600
4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)benzamide
CID 81424344
4-bromo-N-(4-bromo-3-ethylphenyl)-3-fluorobenzamide;ethane
CID 165118072
4-bromo-3-fluoro-N-(4-methylsulfanylphenyl)benzamide
CID 47421930
N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzamide
CID 114840048

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-bromo-3-methoxyphenyl)-3-fluorobenzamide?
The IUPAC name of 4-bromo-N-(4-bromo-3-methoxyphenyl)-3-fluorobenzamide (CID 82867341) is 4-bromo-N-(4-bromo-3-methoxyphenyl)-3-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(4-bromo-3-methoxyphenyl)-3-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(4-bromo-3-methoxyphenyl)-3-fluorobenzamide is COc1cc(NC(=O)c2ccc(Br)c(F)c2)ccc1Br.
What is the InChIKey of 4-bromo-N-(4-bromo-3-methoxyphenyl)-3-fluorobenzamide?
The InChIKey is URQCATAOMFQKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2FNO2/c1-20-13-7-9(3-5-11(13)16)18-14(19)8-2-4-10(15)12(17)6-8/h2-7H,1H3,(H,18,19).
What are the key properties of 4-bromo-N-(4-bromo-3-methoxyphenyl)-3-fluorobenzamide?
4-bromo-N-(4-bromo-3-methoxyphenyl)-3-fluorobenzamide has a molecular weight of 403.05 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-bromo-3-methoxyphenyl)-3-fluorobenzamide is sourced from PubChem (CID 82867341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).