4-bromo-N-(2-bromo-5-methylphenyl)-2-fluorobenzamide

C14H10Br2FNO — CID 82707497

IUPAC4-bromo-N-(2-bromo-5-methylphenyl)-2-fluorobenzamide
SMILESCc1ccc(Br)c(NC(=O)c2ccc(Br)cc2F)c1
InChIInChI=1S/C14H10Br2FNO/c1-8-2-5-11(16)13(6-8)18-14(19)10-4-3-9(15)7-12(10)17/h2-7H,1H3,(H,18,19)
InChIKeyWXPLPBMNKYBCPA-UHFFFAOYSA-N
MW387.05 g/mol
LogP4.91
Rot. Bonds2

About 4-bromo-N-(2-bromo-5-methylphenyl)-2-fluorobenzamide

4-bromo-N-(2-bromo-5-methylphenyl)-2-fluorobenzamide (PubChem CID 82707497) has the molecular formula C14H10Br2FNO and a molecular weight of 387.05 g/mol. Its IUPAC name is 4-bromo-N-(2-bromo-5-methylphenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-bromo-5-methylphenyl)-2-fluorobenzamide
PubChem CID82707497
Molecular FormulaC14H10Br2FNO
Molecular Weight387.05 g/mol
Exact Mass384.91
IUPAC Name4-bromo-N-(2-bromo-5-methylphenyl)-2-fluorobenzamide
SMILESCc1ccc(Br)c(NC(=O)c2ccc(Br)cc2F)c1
InChIInChI=1S/C14H10Br2FNO/c1-8-2-5-11(16)13(6-8)18-14(19)10-4-3-9(15)7-12(10)17/h2-7H,1H3,(H,18,19)
InChIKeyWXPLPBMNKYBCPA-UHFFFAOYSA-N
XLogP4.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.05
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-5-methylphenyl)-2,4-difluorobenzamide
CID 82706445
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2-amino-4-bromo-N-(2-bromo-5-methylphenyl)benzamide
CID 82757217
4-bromo-N-(2,4-dibromophenyl)-2-fluorobenzamide
CID 26691585
N-(5-amino-2-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide
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2,5-dibromo-N-(2,5-dimethylphenyl)benzamide
CID 114370020
4-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79050043
N-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide
CID 82706830
N-(2-bromo-4-methylphenyl)-2-fluoro-4-hydroxybenzamide
CID 107676274
N-(2-bromo-5-fluorophenyl)-2-hydroxy-4-methylbenzamide
CID 103753405
4-bromo-N-(4-chloro-2-methylphenyl)-2-fluorobenzamide
CID 24708773
N-(2-bromo-5-chlorophenyl)-4-methyl-2-(methylamino)benzamide
CID 81275377

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-bromo-5-methylphenyl)-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-(2-bromo-5-methylphenyl)-2-fluorobenzamide (CID 82707497) is 4-bromo-N-(2-bromo-5-methylphenyl)-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(2-bromo-5-methylphenyl)-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(2-bromo-5-methylphenyl)-2-fluorobenzamide is Cc1ccc(Br)c(NC(=O)c2ccc(Br)cc2F)c1.
What is the InChIKey of 4-bromo-N-(2-bromo-5-methylphenyl)-2-fluorobenzamide?
The InChIKey is WXPLPBMNKYBCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2FNO/c1-8-2-5-11(16)13(6-8)18-14(19)10-4-3-9(15)7-12(10)17/h2-7H,1H3,(H,18,19).
What are the key properties of 4-bromo-N-(2-bromo-5-methylphenyl)-2-fluorobenzamide?
4-bromo-N-(2-bromo-5-methylphenyl)-2-fluorobenzamide has a molecular weight of 387.05 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-bromo-5-methylphenyl)-2-fluorobenzamide is sourced from PubChem (CID 82707497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).