2-bromo-N-(2,3-dimethylphenyl)-5-fluorobenzamide

C15H13BrFNO — CID 24695663

IUPAC2-bromo-N-(2,3-dimethylphenyl)-5-fluorobenzamide
SMILESCc1cccc(NC(=O)c2cc(F)ccc2Br)c1C
InChIInChI=1S/C15H13BrFNO/c1-9-4-3-5-14(10(9)2)18-15(19)12-8-11(17)6-7-13(12)16/h3-8H,1-2H3,(H,18,19)
InChIKeyPWAISIONTROJDM-UHFFFAOYSA-N
MW322.18 g/mol
LogP4.46
Rot. Bonds2

About 2-bromo-N-(2,3-dimethylphenyl)-5-fluorobenzamide

2-bromo-N-(2,3-dimethylphenyl)-5-fluorobenzamide (PubChem CID 24695663) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is 2-bromo-N-(2,3-dimethylphenyl)-5-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(2,3-dimethylphenyl)-5-fluorobenzamide
PubChem CID24695663
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name2-bromo-N-(2,3-dimethylphenyl)-5-fluorobenzamide
SMILESCc1cccc(NC(=O)c2cc(F)ccc2Br)c1C
InChIInChI=1S/C15H13BrFNO/c1-9-4-3-5-14(10(9)2)18-15(19)12-8-11(17)6-7-13(12)16/h3-8H,1-2H3,(H,18,19)
InChIKeyPWAISIONTROJDM-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(2,3-dimethylphenyl)-5-sulfanylbenzamide
CID 107021458
2-bromo-5-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909354
2-bromo-N-(3-fluoro-2-methylphenyl)-5-methylbenzamide
CID 81002497
2-bromo-N-(2-ethyl-6-methylphenyl)-5-fluorobenzamide
CID 24693167
6-bromo-N-(2,3-dimethylphenyl)-1,3-benzodioxole-5-carboxamide
CID 146464701
2-[(2-bromo-5-fluorobenzoyl)amino]benzoic acid
CID 16773060
2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide
CID 104724173
2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 103852657
N-(2,3-dimethylphenyl)-4-fluorobenzamide
CID 795282
2,5-dibromo-N-(4-fluoro-2-methylphenyl)benzamide
CID 114370000
2-bromo-N-(3-chloro-2-methylphenyl)-4-fluorobenzamide
CID 24699585
N-(5-fluoro-2-methylphenyl)-2,3-dimethylbenzamide
CID 7777709

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,3-dimethylphenyl)-5-fluorobenzamide?
The IUPAC name of 2-bromo-N-(2,3-dimethylphenyl)-5-fluorobenzamide (CID 24695663) is 2-bromo-N-(2,3-dimethylphenyl)-5-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(2,3-dimethylphenyl)-5-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(2,3-dimethylphenyl)-5-fluorobenzamide is Cc1cccc(NC(=O)c2cc(F)ccc2Br)c1C.
What is the InChIKey of 2-bromo-N-(2,3-dimethylphenyl)-5-fluorobenzamide?
The InChIKey is PWAISIONTROJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-9-4-3-5-14(10(9)2)18-15(19)12-8-11(17)6-7-13(12)16/h3-8H,1-2H3,(H,18,19).
What are the key properties of 2-bromo-N-(2,3-dimethylphenyl)-5-fluorobenzamide?
2-bromo-N-(2,3-dimethylphenyl)-5-fluorobenzamide has a molecular weight of 322.18 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,3-dimethylphenyl)-5-fluorobenzamide is sourced from PubChem (CID 24695663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).