4-bromo-N-(2,2-diethyloxan-4-yl)-3-fluorobenzamide

C16H21BrFNO2 — CID 82765218

IUPAC4-bromo-N-(2,2-diethyloxan-4-yl)-3-fluorobenzamide
SMILESCCC1(CC)CC(NC(=O)c2ccc(Br)c(F)c2)CCO1
InChIInChI=1S/C16H21BrFNO2/c1-3-16(4-2)10-12(7-8-21-16)19-15(20)11-5-6-13(17)14(18)9-11/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H,19,20)
InChIKeyNRFQHOMNNWBWTI-UHFFFAOYSA-N
MW358.25 g/mol
LogP4.06
Rot. Bonds4

About 4-bromo-N-(2,2-diethyloxan-4-yl)-3-fluorobenzamide

4-bromo-N-(2,2-diethyloxan-4-yl)-3-fluorobenzamide (PubChem CID 82765218) has the molecular formula C16H21BrFNO2 and a molecular weight of 358.25 g/mol. Its IUPAC name is 4-bromo-N-(2,2-diethyloxan-4-yl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(2,2-diethyloxan-4-yl)-3-fluorobenzamide
PubChem CID82765218
Molecular FormulaC16H21BrFNO2
Molecular Weight358.25 g/mol
Exact Mass357.07
IUPAC Name4-bromo-N-(2,2-diethyloxan-4-yl)-3-fluorobenzamide
SMILESCCC1(CC)CC(NC(=O)c2ccc(Br)c(F)c2)CCO1
InChIInChI=1S/C16H21BrFNO2/c1-3-16(4-2)10-12(7-8-21-16)19-15(20)11-5-6-13(17)14(18)9-11/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H,19,20)
InChIKeyNRFQHOMNNWBWTI-UHFFFAOYSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2,2-diethyloxan-4-yl)benzamide
CID 82760145
N-(2,2-diethyloxan-4-yl)-3-hydroxy-4-iodobenzamide
CID 104629914
3-amino-5-bromo-N-(2,2-diethyloxan-4-yl)benzamide
CID 83034725
N-(2,2-diethyloxan-4-yl)-2-fluoro-5-sulfanylbenzamide
CID 107033933
4-amino-3-chloro-N-(2,2-diethyloxan-4-yl)benzamide
CID 83034731
2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)pyridine-4-carboxamide
CID 83036644
4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110825
2-bromo-N-(2,2-diethyloxan-4-yl)pyridine-3-carboxamide
CID 103868583
5-[(2,2-diethyloxan-4-yl)carbamoyl]thiophene-2-carboxylic acid
CID 83035065
4-bromo-3-fluoro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65472784
4-bromo-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386400
8-[(3-fluoro-4-methylbenzoyl)amino]-5-oxaspiro[3.5]nonane-2-carboxylic acid
CID 154782864

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,2-diethyloxan-4-yl)-3-fluorobenzamide?
The IUPAC name of 4-bromo-N-(2,2-diethyloxan-4-yl)-3-fluorobenzamide (CID 82765218) is 4-bromo-N-(2,2-diethyloxan-4-yl)-3-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(2,2-diethyloxan-4-yl)-3-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(2,2-diethyloxan-4-yl)-3-fluorobenzamide is CCC1(CC)CC(NC(=O)c2ccc(Br)c(F)c2)CCO1.
What is the InChIKey of 4-bromo-N-(2,2-diethyloxan-4-yl)-3-fluorobenzamide?
The InChIKey is NRFQHOMNNWBWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrFNO2/c1-3-16(4-2)10-12(7-8-21-16)19-15(20)11-5-6-13(17)14(18)9-11/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H,19,20).
What are the key properties of 4-bromo-N-(2,2-diethyloxan-4-yl)-3-fluorobenzamide?
4-bromo-N-(2,2-diethyloxan-4-yl)-3-fluorobenzamide has a molecular weight of 358.25 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,2-diethyloxan-4-yl)-3-fluorobenzamide is sourced from PubChem (CID 82765218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).