4-bromo-N-(2,6-diethylphenyl)-2-fluorobenzamide

C17H17BrFNO — CID 26692195

IUPAC4-bromo-N-(2,6-diethylphenyl)-2-fluorobenzamide
SMILESCCc1cccc(CC)c1NC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C17H17BrFNO/c1-3-11-6-5-7-12(4-2)16(11)20-17(21)14-9-8-13(18)10-15(14)19/h5-10H,3-4H2,1-2H3,(H,20,21)
InChIKeyBNIKJMAADSXMTQ-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.97
Rot. Bonds4

About 4-bromo-N-(2,6-diethylphenyl)-2-fluorobenzamide

4-bromo-N-(2,6-diethylphenyl)-2-fluorobenzamide (PubChem CID 26692195) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is 4-bromo-N-(2,6-diethylphenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(2,6-diethylphenyl)-2-fluorobenzamide
PubChem CID26692195
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Name4-bromo-N-(2,6-diethylphenyl)-2-fluorobenzamide
SMILESCCc1cccc(CC)c1NC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C17H17BrFNO/c1-3-11-6-5-7-12(4-2)16(11)20-17(21)14-9-8-13(18)10-15(14)19/h5-10H,3-4H2,1-2H3,(H,20,21)
InChIKeyBNIKJMAADSXMTQ-UHFFFAOYSA-N
XLogP4.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,6-diethylphenyl)-2,4-difluorobenzamide
CID 2495338
4-bromo-N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 18089577
2,5-dibromo-N-(2,6-diethylphenyl)benzamide
CID 114369798
4-bromo-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide
CID 26688276
4-bromo-2-fluoro-N-(2,4,6-tribromophenyl)benzamide
CID 43126410
2-[2-[(4-bromo-2-fluorobenzoyl)amino]phenyl]acetic acid
CID 62537050
4-bromo-N-[2-(bromomethyl)phenyl]-2-fluorobenzamide
CID 114309734
2-chloro-N-(2,6-diethylphenyl)-4,5-difluorobenzamide
CID 1252541
4-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide
CID 27760701
4-bromo-2-fluoro-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 60674522
4-bromo-2-fluoro-N-(3-methylsulfanylphenyl)benzamide
CID 9072559
N-(3-bromophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511493

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,6-diethylphenyl)-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-(2,6-diethylphenyl)-2-fluorobenzamide (CID 26692195) is 4-bromo-N-(2,6-diethylphenyl)-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(2,6-diethylphenyl)-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(2,6-diethylphenyl)-2-fluorobenzamide is CCc1cccc(CC)c1NC(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(2,6-diethylphenyl)-2-fluorobenzamide?
The InChIKey is BNIKJMAADSXMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c1-3-11-6-5-7-12(4-2)16(11)20-17(21)14-9-8-13(18)10-15(14)19/h5-10H,3-4H2,1-2H3,(H,20,21).
What are the key properties of 4-bromo-N-(2,6-diethylphenyl)-2-fluorobenzamide?
4-bromo-N-(2,6-diethylphenyl)-2-fluorobenzamide has a molecular weight of 350.23 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,6-diethylphenyl)-2-fluorobenzamide is sourced from PubChem (CID 26692195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).