5-bromo-2-fluoro-N-(4-propylcyclohexyl)benzamide

C16H21BrFNO — CID 63524250

IUPAC5-bromo-2-fluoro-N-(4-propylcyclohexyl)benzamide
SMILESCCCC1CCC(NC(=O)c2cc(Br)ccc2F)CC1
InChIInChI=1S/C16H21BrFNO/c1-2-3-11-4-7-13(8-5-11)19-16(20)14-10-12(17)6-9-15(14)18/h6,9-11,13H,2-5,7-8H2,1H3,(H,19,20)
InChIKeyGAVNZFOQTLRAQU-UHFFFAOYSA-N
MW342.25 g/mol
LogP4.68
Rot. Bonds4

About 5-bromo-2-fluoro-N-(4-propylcyclohexyl)benzamide

5-bromo-2-fluoro-N-(4-propylcyclohexyl)benzamide (PubChem CID 63524250) has the molecular formula C16H21BrFNO and a molecular weight of 342.25 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(4-propylcyclohexyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(4-propylcyclohexyl)benzamide
PubChem CID63524250
Molecular FormulaC16H21BrFNO
Molecular Weight342.25 g/mol
Exact Mass341.08
IUPAC Name5-bromo-2-fluoro-N-(4-propylcyclohexyl)benzamide
SMILESCCCC1CCC(NC(=O)c2cc(Br)ccc2F)CC1
InChIInChI=1S/C16H21BrFNO/c1-2-3-11-4-7-13(8-5-11)19-16(20)14-10-12(17)6-9-15(14)18/h6,9-11,13H,2-5,7-8H2,1H3,(H,19,20)
InChIKeyGAVNZFOQTLRAQU-UHFFFAOYSA-N
XLogP4.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(4-propylcyclohexyl)-2-sulfanylbenzamide
CID 107025667
5-bromo-2-fluoro-N-(oxan-4-yl)benzamide
CID 43610272
5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
CID 103709559
5-bromo-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 113407761
1-N,3-N,5-N-tris(4-propylcyclohexyl)benzene-1,3,5-tricarboxamide
CID 67413322
5-bromo-N-(3,3-difluorocyclobutyl)-2-fluorobenzamide
CID 155293429
4-chloro-N-(4-propylcyclohexyl)benzamide
CID 10612734
2,5-dihydroxy-N-(4-propylcyclohexyl)benzamide
CID 107722644
N-(4-aminocyclohexyl)-4-bromo-2-fluorobenzamide
CID 55062535
2,3-dihydroxy-N-(4-propylcyclohexyl)benzamide
CID 114344117
5-amino-2-fluoro-N-(4-methylcyclohexyl)benzamide
CID 43510704
5-bromo-N-cyclopropyl-2-ethoxybenzamide
CID 135563587

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(4-propylcyclohexyl)benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-(4-propylcyclohexyl)benzamide (CID 63524250) is 5-bromo-2-fluoro-N-(4-propylcyclohexyl)benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(4-propylcyclohexyl)benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(4-propylcyclohexyl)benzamide is CCCC1CCC(NC(=O)c2cc(Br)ccc2F)CC1.
What is the InChIKey of 5-bromo-2-fluoro-N-(4-propylcyclohexyl)benzamide?
The InChIKey is GAVNZFOQTLRAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrFNO/c1-2-3-11-4-7-13(8-5-11)19-16(20)14-10-12(17)6-9-15(14)18/h6,9-11,13H,2-5,7-8H2,1H3,(H,19,20).
What are the key properties of 5-bromo-2-fluoro-N-(4-propylcyclohexyl)benzamide?
5-bromo-2-fluoro-N-(4-propylcyclohexyl)benzamide has a molecular weight of 342.25 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-(4-propylcyclohexyl)benzamide is sourced from PubChem (CID 63524250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).