2-bromo-N-(2-fluoro-3-methylphenyl)benzamide

C14H11BrFNO — CID 113351864

IUPAC2-bromo-N-(2-fluoro-3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2Br)c1F
InChIInChI=1S/C14H11BrFNO/c1-9-5-4-8-12(13(9)16)17-14(18)10-6-2-3-7-11(10)15/h2-8H,1H3,(H,17,18)
InChIKeyLPHFOZDXBWQRBX-UHFFFAOYSA-N
MW308.15 g/mol
LogP4.15
Rot. Bonds2

About 2-bromo-N-(2-fluoro-3-methylphenyl)benzamide

2-bromo-N-(2-fluoro-3-methylphenyl)benzamide (PubChem CID 113351864) has the molecular formula C14H11BrFNO and a molecular weight of 308.15 g/mol. Its IUPAC name is 2-bromo-N-(2-fluoro-3-methylphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2-fluoro-3-methylphenyl)benzamide
PubChem CID113351864
Molecular FormulaC14H11BrFNO
Molecular Weight308.15 g/mol
Exact Mass307.00
IUPAC Name2-bromo-N-(2-fluoro-3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2Br)c1F
InChIInChI=1S/C14H11BrFNO/c1-9-5-4-8-12(13(9)16)17-14(18)10-6-2-3-7-11(10)15/h2-8H,1H3,(H,17,18)
InChIKeyLPHFOZDXBWQRBX-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.15
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(5-fluoro-2-methylphenyl)benzamide
CID 2683675
N-(2,6-dibromophenyl)-2-fluoro-3-methylbenzamide
CID 107598701
N-(3-bromo-2-methylphenyl)-2-fluorobenzamide
CID 66606524
3-bromo-2-fluoro-N-(3-fluoro-2-methylphenyl)benzamide
CID 106544652
2-bromo-3-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 103857092
methyl 2-[(2-bromobenzoyl)amino]benzoate
CID 723592
2-fluoro-3-methyl-N-naphthalen-1-ylbenzamide
CID 80710420
3-bromo-N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 106543986
3-bromo-N-[2-(dimethylamino)phenyl]-2-fluorobenzamide
CID 106544738
2-bromo-N-(2,3-dimethylphenyl)-5-fluorobenzamide
CID 24695663
2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344
methyl 3-[(2-bromobenzoyl)amino]-2-hydroxybenzoate
CID 108768060

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-fluoro-3-methylphenyl)benzamide?
The IUPAC name of 2-bromo-N-(2-fluoro-3-methylphenyl)benzamide (CID 113351864) is 2-bromo-N-(2-fluoro-3-methylphenyl)benzamide.
What is the SMILES notation for 2-bromo-N-(2-fluoro-3-methylphenyl)benzamide?
The canonical SMILES for 2-bromo-N-(2-fluoro-3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2ccccc2Br)c1F.
What is the InChIKey of 2-bromo-N-(2-fluoro-3-methylphenyl)benzamide?
The InChIKey is LPHFOZDXBWQRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO/c1-9-5-4-8-12(13(9)16)17-14(18)10-6-2-3-7-11(10)15/h2-8H,1H3,(H,17,18).
What are the key properties of 2-bromo-N-(2-fluoro-3-methylphenyl)benzamide?
2-bromo-N-(2-fluoro-3-methylphenyl)benzamide has a molecular weight of 308.15 g/mol, XLogP of 4.15, 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-fluoro-3-methylphenyl)benzamide is sourced from PubChem (CID 113351864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).