4-bromo-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide

C14H19BrFNO — CID 78965747

IUPAC4-bromo-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide
SMILESCC(CNC(=O)c1ccc(Br)cc1F)C(C)(C)C
InChIInChI=1S/C14H19BrFNO/c1-9(14(2,3)4)8-17-13(18)11-6-5-10(15)7-12(11)16/h5-7,9H,8H2,1-4H3,(H,17,18)
InChIKeyGJODJDSAXWWIOK-UHFFFAOYSA-N
MW316.21 g/mol
LogP4.00
Rot. Bonds3

About 4-bromo-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide

4-bromo-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide (PubChem CID 78965747) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide
PubChem CID78965747
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name4-bromo-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide
SMILESCC(CNC(=O)c1ccc(Br)cc1F)C(C)(C)C
InChIInChI=1S/C14H19BrFNO/c1-9(14(2,3)4)8-17-13(18)11-6-5-10(15)7-12(11)16/h5-7,9H,8H2,1-4H3,(H,17,18)
InChIKeyGJODJDSAXWWIOK-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 83142817
4-bromo-2-fluoro-N-(2-methylbutyl)benzamide
CID 55210019
4-bromo-N-(2-bromo-4,4-dimethylpentyl)-2-fluorobenzamide
CID 107156635
4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide
CID 79080028
2-bromo-4-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 78965919
4-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide
CID 120650065
4-bromo-N-(2,2-dimethoxyethyl)-2-fluorobenzamide
CID 61247809
4-bromo-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide
CID 9089971
N-(2-aminobutyl)-4-bromo-2-fluorobenzamide
CID 63732420
4-bromo-2-fluoro-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 60674522
4-bromo-N-(3-chlorobutyl)-2-fluorobenzamide
CID 114301911
5-bromo-N-(2,3-dimethylbutyl)-2-fluorobenzamide
CID 64597105

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide (CID 78965747) is 4-bromo-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide is CC(CNC(=O)c1ccc(Br)cc1F)C(C)(C)C.
What is the InChIKey of 4-bromo-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide?
The InChIKey is GJODJDSAXWWIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-9(14(2,3)4)8-17-13(18)11-6-5-10(15)7-12(11)16/h5-7,9H,8H2,1-4H3,(H,17,18).
What are the key properties of 4-bromo-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide?
4-bromo-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide has a molecular weight of 316.21 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide is sourced from PubChem (CID 78965747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).