2-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide

C14H10Br2FNO — CID 103853459

IUPAC2-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(Br)ccc2F)c1Br
InChIInChI=1S/C14H10Br2FNO/c1-8-3-2-4-10(13(8)16)14(19)18-12-7-9(15)5-6-11(12)17/h2-7H,1H3,(H,18,19)
InChIKeyRUHXQOQXHFUMFB-UHFFFAOYSA-N
MW387.05 g/mol
LogP4.91
Rot. Bonds2

About 2-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide

2-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide (PubChem CID 103853459) has the molecular formula C14H10Br2FNO and a molecular weight of 387.05 g/mol. Its IUPAC name is 2-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide
PubChem CID103853459
Molecular FormulaC14H10Br2FNO
Molecular Weight387.05 g/mol
Exact Mass384.91
IUPAC Name2-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(Br)ccc2F)c1Br
InChIInChI=1S/C14H10Br2FNO/c1-8-3-2-4-10(13(8)16)14(19)18-12-7-9(15)5-6-11(12)17/h2-7H,1H3,(H,18,19)
InChIKeyRUHXQOQXHFUMFB-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

2-bromo-3-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 103857092
N-(5-bromo-2-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343963
2-bromo-N-(4-bromo-2-ethylphenyl)-3-methylbenzamide
CID 103855381
5-amino-N-(5-bromo-2-fluorophenyl)-2,4-dimethylbenzamide
CID 102705048
2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbenzamide
CID 103853140
2-bromo-N-(2,6-difluoro-3-methylphenyl)-3-methylbenzamide
CID 107982586
N-(2-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide
CID 81480740
N-(5-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzamide
CID 80711881
2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 103852657
3-amino-N-(5-bromo-2-fluorophenyl)-2-chlorobenzamide
CID 112574878
N-(5-bromo-2-fluorophenyl)-2-hydrazinyl-5-methylbenzamide
CID 62513483
N-(2,5-dibromophenyl)-2-methylbenzamide
CID 47167937

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide?
The IUPAC name of 2-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide (CID 103853459) is 2-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide?
The canonical SMILES for 2-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(Br)ccc2F)c1Br.
What is the InChIKey of 2-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide?
The InChIKey is RUHXQOQXHFUMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2FNO/c1-8-3-2-4-10(13(8)16)14(19)18-12-7-9(15)5-6-11(12)17/h2-7H,1H3,(H,18,19).
What are the key properties of 2-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide?
2-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide 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 2-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide is sourced from PubChem (CID 103853459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).