3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide

C14H10Br2FNO2 — CID 115661540

IUPAC3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(F)c(Br)c2)cc1Br
InChIInChI=1S/C14H10Br2FNO2/c1-20-13-5-2-8(6-11(13)16)14(19)18-9-3-4-12(17)10(15)7-9/h2-7H,1H3,(H,18,19)
InChIKeyJEVHBEOWTBVFCI-UHFFFAOYSA-N
MW403.05 g/mol
LogP4.61
Rot. Bonds3

About 3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide

3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide (PubChem CID 115661540) has the molecular formula C14H10Br2FNO2 and a molecular weight of 403.05 g/mol. Its IUPAC name is 3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
PubChem CID115661540
Molecular FormulaC14H10Br2FNO2
Molecular Weight403.05 g/mol
Exact Mass400.91
IUPAC Name3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(F)c(Br)c2)cc1Br
InChIInChI=1S/C14H10Br2FNO2/c1-20-13-5-2-8(6-11(13)16)14(19)18-9-3-4-12(17)10(15)7-9/h2-7H,1H3,(H,18,19)
InChIKeyJEVHBEOWTBVFCI-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
3-bromo-4-methoxy-N-(3,4,5-trifluorophenyl)benzamide
CID 62814066
3-bromo-N-(3,5-dimethoxy-4-methylphenyl)-4-fluorobenzamide
CID 167951842
3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 3493450
3-bromo-N-(3,5-dimethoxyphenyl)-4-fluorobenzamide
CID 103706313
N-(3-bromo-4-methoxyphenyl)-3-chloro-4-methoxybenzamide
CID 3529705
3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-fluorobenzamide
CID 103706990
3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide
CID 4941361
4-bromo-N-(4-bromo-3-methoxyphenyl)-3-fluorobenzamide
CID 82867341
N-(3-bromo-4-fluorophenyl)-2,5-dimethoxybenzamide
CID 115661440
3-bromo-N-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]-4-methoxybenzamide
CID 43878101
N-(4-bromo-3-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 103824600

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide (CID 115661540) is 3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(F)c(Br)c2)cc1Br.
What is the InChIKey of 3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide?
The InChIKey is JEVHBEOWTBVFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2FNO2/c1-20-13-5-2-8(6-11(13)16)14(19)18-9-3-4-12(17)10(15)7-9/h2-7H,1H3,(H,18,19).
What are the key properties of 3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide?
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide 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 3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide is sourced from PubChem (CID 115661540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).