4-bromo-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide

C19H21BrFNO — CID 26688276

IUPAC4-bromo-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C19H21BrFNO/c1-11(2)14-6-5-7-15(12(3)4)18(14)22-19(23)16-9-8-13(20)10-17(16)21/h5-12H,1-4H3,(H,22,23)
InChIKeyDFAXSRGBVWATDR-UHFFFAOYSA-N
MW378.29 g/mol
LogP6.09
Rot. Bonds4

About 4-bromo-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide

4-bromo-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide (PubChem CID 26688276) has the molecular formula C19H21BrFNO and a molecular weight of 378.29 g/mol. Its IUPAC name is 4-bromo-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide
PubChem CID26688276
Molecular FormulaC19H21BrFNO
Molecular Weight378.29 g/mol
Exact Mass377.08
IUPAC Name4-bromo-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C19H21BrFNO/c1-11(2)14-6-5-7-15(12(3)4)18(14)22-19(23)16-9-8-13(20)10-17(16)21/h5-12H,1-4H3,(H,22,23)
InChIKeyDFAXSRGBVWATDR-UHFFFAOYSA-N
XLogP6.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.29
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 18089577
4-bromo-N-(2,6-diethylphenyl)-2-fluorobenzamide
CID 26692195
4-bromo-2-fluoro-N-(2,4,6-tribromophenyl)benzamide
CID 43126410
N-[2,6-di(propan-2-yl)phenyl]-3,5-difluorobenzamide
CID 8778728
N-[2,6-di(propan-2-yl)phenyl]-2-hydroxybenzamide
CID 121296745
4-bromo-2-fluoro-N-(3-methylsulfanylphenyl)benzamide
CID 9072559
4-bromo-2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404888
4-bromo-N-(2,4-dibromophenyl)-2-fluorobenzamide
CID 26691585
4-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79050043
4-bromo-N-[2-(bromomethyl)phenyl]-2-fluorobenzamide
CID 114309734
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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide (CID 26688276) is 4-bromo-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide is CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide?
The InChIKey is DFAXSRGBVWATDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrFNO/c1-11(2)14-6-5-7-15(12(3)4)18(14)22-19(23)16-9-8-13(20)10-17(16)21/h5-12H,1-4H3,(H,22,23).
What are the key properties of 4-bromo-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide?
4-bromo-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide has a molecular weight of 378.29 g/mol, XLogP of 6.09, 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-di(propan-2-yl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 26688276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).