N-(1-cyclohexyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-fluorobenzamide

C24H31FN2O3 — CID 176579164

IUPACN-(1-cyclohexyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-fluorobenzamide
SMILESCCC(=O)C(NC(=O)c1cccc(C2CN(C(=O)C3CC3)C2)c1F)C1CCCCC1
InChIInChI=1S/C24H31FN2O3/c1-2-20(28)22(15-7-4-3-5-8-15)26-23(29)19-10-6-9-18(21(19)25)17-13-27(14-17)24(30)16-11-12-16/h6,9-10,15-17,22H,2-5,7-8,11-14H2,1H3,(H,26,29)
InChIKeyZLXBBWBXUKPPPM-UHFFFAOYSA-N
MW414.52 g/mol
LogP3.82
Rot. Bonds7

About N-(1-cyclohexyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-fluorobenzamide

N-(1-cyclohexyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-fluorobenzamide (PubChem CID 176579164) has the molecular formula C24H31FN2O3 and a molecular weight of 414.52 g/mol. Its IUPAC name is N-(1-cyclohexyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-fluorobenzamide
PubChem CID176579164
Molecular FormulaC24H31FN2O3
Molecular Weight414.52 g/mol
Exact Mass414.23
IUPAC NameN-(1-cyclohexyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-fluorobenzamide
SMILESCCC(=O)C(NC(=O)c1cccc(C2CN(C(=O)C3CC3)C2)c1F)C1CCCCC1
InChIInChI=1S/C24H31FN2O3/c1-2-20(28)22(15-7-4-3-5-8-15)26-23(29)19-10-6-9-18(21(19)25)17-13-27(14-17)24(30)16-11-12-16/h6,9-10,15-17,22H,2-5,7-8,11-14H2,1H3,(H,26,29)
InChIKeyZLXBBWBXUKPPPM-UHFFFAOYSA-N
XLogP3.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.52
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclohexyl-2-oxobutyl)-2-fluoro-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide
CID 176579942
N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]benzamide
CID 176577410
N-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-fluorobenzamide
CID 176577503
N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]-2-fluorobenzamide;ethane;molecular hydrogen
CID 176579565
N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-cyclopropyl-2-fluorobenzamide
CID 176576220
N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-3-yl]benzamide
CID 176575682
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-cyclopropyl-2-fluorobenzamide
CID 176577705
N-(1-cyclohexyl-2-oxopropyl)-2-fluoro-3-[1-(2-methylidenebutanoyl)piperidin-4-yl]benzamide;ethane
CID 176577039
3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-fluorobenzoic acid
CID 176582398
3-(1-acetylpiperidin-3-yl)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2-fluorobenzamide
CID 176576364
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2-fluorobenzamide
CID 176579606
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2-fluoro-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide
CID 176577998

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-fluorobenzamide?
The IUPAC name of N-(1-cyclohexyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-fluorobenzamide (CID 176579164) is N-(1-cyclohexyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-fluorobenzamide.
What is the SMILES notation for N-(1-cyclohexyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-fluorobenzamide?
The canonical SMILES for N-(1-cyclohexyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-fluorobenzamide is CCC(=O)C(NC(=O)c1cccc(C2CN(C(=O)C3CC3)C2)c1F)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-fluorobenzamide?
The InChIKey is ZLXBBWBXUKPPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O3/c1-2-20(28)22(15-7-4-3-5-8-15)26-23(29)19-10-6-9-18(21(19)25)17-13-27(14-17)24(30)16-11-12-16/h6,9-10,15-17,22H,2-5,7-8,11-14H2,1H3,(H,26,29).
What are the key properties of N-(1-cyclohexyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-fluorobenzamide?
N-(1-cyclohexyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-fluorobenzamide has a molecular weight of 414.52 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-fluorobenzamide is sourced from PubChem (CID 176579164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).