2-chloro-N-cyclohexyl-5-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide

C22H29ClN4O3 — CID 55906398

IUPAC2-chloro-N-cyclohexyl-5-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide
SMILESCC(C)c1noc(CCCC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)n1
InChIInChI=1S/C22H29ClN4O3/c1-14(2)21-26-20(30-27-21)10-6-9-19(28)24-16-11-12-18(23)17(13-16)22(29)25-15-7-4-3-5-8-15/h11-15H,3-10H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyXKLHVEBFKRBJQJ-UHFFFAOYSA-N
MW432.95 g/mol
LogP4.87
Rot. Bonds8

About 2-chloro-N-cyclohexyl-5-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide

2-chloro-N-cyclohexyl-5-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide (PubChem CID 55906398) has the molecular formula C22H29ClN4O3 and a molecular weight of 432.95 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide
PubChem CID55906398
Molecular FormulaC22H29ClN4O3
Molecular Weight432.95 g/mol
Exact Mass432.19
IUPAC Name2-chloro-N-cyclohexyl-5-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide
SMILESCC(C)c1noc(CCCC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)n1
InChIInChI=1S/C22H29ClN4O3/c1-14(2)21-26-20(30-27-21)10-6-9-19(28)24-16-11-12-18(23)17(13-16)22(29)25-15-7-4-3-5-8-15/h11-15H,3-10H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyXKLHVEBFKRBJQJ-UHFFFAOYSA-N
XLogP4.87
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.95
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-cyclohexyl-5-[4-(methylamino)butanoylamino]benzamide
CID 119743114
2-chloro-N-cyclohexyl-5-(hexanoylamino)benzamide
CID 17188521
2-chloro-N-cyclohexyl-5-(4-phenylbutanoylamino)benzamide
CID 60540414
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
2-chloro-N-cyclohexyl-5-[[2-[3-(hexanoylamino)anilino]acetyl]amino]benzamide
CID 54841197
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
2-chloro-N-cyclohexyl-5-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54822256
2-chloro-N-cyclohexyl-5-[[2-(prop-2-enylamino)acetyl]amino]benzamide
CID 54818353
2-chloro-N-cyclohexyl-5-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]benzamide
CID 60540363
N-[4-(dimethylsulfamoyl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 47029394
2-chloro-N-cyclohexyl-5-[(2-piperidin-1-ylacetyl)amino]benzamide
CID 54815159
2-chloro-N-cyclohexyl-5-(heptanoylcarbamothioylamino)benzamide
CID 54789372

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide (CID 55906398) is 2-chloro-N-cyclohexyl-5-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide is CC(C)c1noc(CCCC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)n1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide?
The InChIKey is XKLHVEBFKRBJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN4O3/c1-14(2)21-26-20(30-27-21)10-6-9-19(28)24-16-11-12-18(23)17(13-16)22(29)25-15-7-4-3-5-8-15/h11-15H,3-10H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 2-chloro-N-cyclohexyl-5-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide?
2-chloro-N-cyclohexyl-5-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide has a molecular weight of 432.95 g/mol, XLogP of 4.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide is sourced from PubChem (CID 55906398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).