2-bromo-5-fluoro-N-(2-fluoro-6-methylphenyl)benzamide

C14H10BrF2NO — CID 115909354

IUPAC2-bromo-5-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
SMILESCc1cccc(F)c1NC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C14H10BrF2NO/c1-8-3-2-4-12(17)13(8)18-14(19)10-7-9(16)5-6-11(10)15/h2-7H,1H3,(H,18,19)
InChIKeyCANNMLQACBBVJS-UHFFFAOYSA-N
MW326.14 g/mol
LogP4.29
Rot. Bonds2

About 2-bromo-5-fluoro-N-(2-fluoro-6-methylphenyl)benzamide

2-bromo-5-fluoro-N-(2-fluoro-6-methylphenyl)benzamide (PubChem CID 115909354) has the molecular formula C14H10BrF2NO and a molecular weight of 326.14 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-(2-fluoro-6-methylphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
PubChem CID115909354
Molecular FormulaC14H10BrF2NO
Molecular Weight326.14 g/mol
Exact Mass324.99
IUPAC Name2-bromo-5-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
SMILESCc1cccc(F)c1NC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C14H10BrF2NO/c1-8-3-2-4-12(17)13(8)18-14(19)10-7-9(16)5-6-11(10)15/h2-7H,1H3,(H,18,19)
InChIKeyCANNMLQACBBVJS-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(2-ethyl-6-methylphenyl)-5-fluorobenzamide
CID 24693167
2-bromo-N-(2,3-dimethylphenyl)-5-fluorobenzamide
CID 24695663
4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 113352707
2-bromo-N-(2,6-dichlorophenyl)-5-fluorobenzamide
CID 60667247
2-amino-N-(2-bromo-6-fluorophenyl)-5-fluorobenzamide
CID 107596162
4-bromo-3-chloro-N-(2-fluoro-6-methylphenyl)benzamide
CID 113352699
2-[(2-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 16771478
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
N-(2,6-dibromophenyl)-2-fluoro-3-methylbenzamide
CID 107598701
4-bromo-N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 18089577
2-bromo-5-fluoro-N-(2,4,6-triiodophenyl)benzamide
CID 63524397
N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-(2-fluoro-6-methylphenyl)benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-(2-fluoro-6-methylphenyl)benzamide (CID 115909354) is 2-bromo-5-fluoro-N-(2-fluoro-6-methylphenyl)benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-(2-fluoro-6-methylphenyl)benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-(2-fluoro-6-methylphenyl)benzamide is Cc1cccc(F)c1NC(=O)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-(2-fluoro-6-methylphenyl)benzamide?
The InChIKey is CANNMLQACBBVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO/c1-8-3-2-4-12(17)13(8)18-14(19)10-7-9(16)5-6-11(10)15/h2-7H,1H3,(H,18,19).
What are the key properties of 2-bromo-5-fluoro-N-(2-fluoro-6-methylphenyl)benzamide?
2-bromo-5-fluoro-N-(2-fluoro-6-methylphenyl)benzamide has a molecular weight of 326.14 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-(2-fluoro-6-methylphenyl)benzamide is sourced from PubChem (CID 115909354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).