3-bromo-N-cyclopentyl-2-fluoro-N-(3-methylbutyl)benzamide

C17H23BrFNO — CID 107952814

IUPAC3-bromo-N-cyclopentyl-2-fluoro-N-(3-methylbutyl)benzamide
SMILESCC(C)CCN(C(=O)c1cccc(Br)c1F)C1CCCC1
InChIInChI=1S/C17H23BrFNO/c1-12(2)10-11-20(13-6-3-4-7-13)17(21)14-8-5-9-15(18)16(14)19/h5,8-9,12-13H,3-4,6-7,10-11H2,1-2H3
InChIKeyXWMOQJYLXKNYSJ-UHFFFAOYSA-N
MW356.28 g/mol
LogP5.02
Rot. Bonds5

About 3-bromo-N-cyclopentyl-2-fluoro-N-(3-methylbutyl)benzamide

3-bromo-N-cyclopentyl-2-fluoro-N-(3-methylbutyl)benzamide (PubChem CID 107952814) has the molecular formula C17H23BrFNO and a molecular weight of 356.28 g/mol. Its IUPAC name is 3-bromo-N-cyclopentyl-2-fluoro-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-cyclopentyl-2-fluoro-N-(3-methylbutyl)benzamide
PubChem CID107952814
Molecular FormulaC17H23BrFNO
Molecular Weight356.28 g/mol
Exact Mass355.09
IUPAC Name3-bromo-N-cyclopentyl-2-fluoro-N-(3-methylbutyl)benzamide
SMILESCC(C)CCN(C(=O)c1cccc(Br)c1F)C1CCCC1
InChIInChI=1S/C17H23BrFNO/c1-12(2)10-11-20(13-6-3-4-7-13)17(21)14-8-5-9-15(18)16(14)19/h5,8-9,12-13H,3-4,6-7,10-11H2,1-2H3
InChIKeyXWMOQJYLXKNYSJ-UHFFFAOYSA-N
XLogP5.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.28
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 106547829
N-(2-amino-2-sulfanylideneethyl)-3-bromo-N-cyclopentyl-2-fluorobenzamide
CID 107951244
3-bromo-2-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 107952170
N-cyclopropyl-2-hydroxy-N-(3-methylbutyl)benzamide
CID 113224066
N-cyclopentyl-2-fluoro-N-(3-methylbutyl)-5-sulfanylbenzamide
CID 107032474
2-bromo-N-cyclopentyl-6-fluoro-N-(2-methylpropyl)benzamide
CID 114559684
2-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 55187214
5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(3-methylbutyl)benzamide
CID 62815083
3-bromo-2-fluoro-N-methyl-N-propan-2-ylbenzamide
CID 106544486
N-cyclopentyl-N-ethyl-2,3-difluorobenzamide
CID 55101771
5-chloro-N-cyclopentyl-2-hydroxy-N-(3-methylbutyl)benzamide
CID 112725848
N-cyclopropyl-2,6-dihydroxy-N-(3-methylbutyl)benzamide
CID 107689256

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopentyl-2-fluoro-N-(3-methylbutyl)benzamide?
The IUPAC name of 3-bromo-N-cyclopentyl-2-fluoro-N-(3-methylbutyl)benzamide (CID 107952814) is 3-bromo-N-cyclopentyl-2-fluoro-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 3-bromo-N-cyclopentyl-2-fluoro-N-(3-methylbutyl)benzamide?
The canonical SMILES for 3-bromo-N-cyclopentyl-2-fluoro-N-(3-methylbutyl)benzamide is CC(C)CCN(C(=O)c1cccc(Br)c1F)C1CCCC1.
What is the InChIKey of 3-bromo-N-cyclopentyl-2-fluoro-N-(3-methylbutyl)benzamide?
The InChIKey is XWMOQJYLXKNYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrFNO/c1-12(2)10-11-20(13-6-3-4-7-13)17(21)14-8-5-9-15(18)16(14)19/h5,8-9,12-13H,3-4,6-7,10-11H2,1-2H3.
What are the key properties of 3-bromo-N-cyclopentyl-2-fluoro-N-(3-methylbutyl)benzamide?
3-bromo-N-cyclopentyl-2-fluoro-N-(3-methylbutyl)benzamide has a molecular weight of 356.28 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopentyl-2-fluoro-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 107952814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).