3-chloro-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide

C21H23ClN2O2 — CID 146018272

IUPAC3-chloro-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide
SMILESCCCNC(=O)C1(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CCC1
InChIInChI=1S/C21H23ClN2O2/c1-2-13-23-20(26)21(11-4-12-21)16-7-9-18(10-8-16)24-19(25)15-5-3-6-17(22)14-15/h3,5-10,14H,2,4,11-13H2,1H3,(H,23,26)(H,24,25)
InChIKeyUIZYWUYIFDOVIY-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.54
Rot. Bonds6

About 3-chloro-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide

3-chloro-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide (PubChem CID 146018272) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 3-chloro-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide
PubChem CID146018272
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name3-chloro-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide
SMILESCCCNC(=O)C1(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CCC1
InChIInChI=1S/C21H23ClN2O2/c1-2-13-23-20(26)21(11-4-12-21)16-7-9-18(10-8-16)24-19(25)15-5-3-6-17(22)14-15/h3,5-10,14H,2,4,11-13H2,1H3,(H,23,26)(H,24,25)
InChIKeyUIZYWUYIFDOVIY-UHFFFAOYSA-N
XLogP4.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide (CID 146018272) is 3-chloro-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide is CCCNC(=O)C1(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CCC1.
What is the InChIKey of 3-chloro-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide?
The InChIKey is UIZYWUYIFDOVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-2-13-23-20(26)21(11-4-12-21)16-7-9-18(10-8-16)24-19(25)15-5-3-6-17(22)14-15/h3,5-10,14H,2,4,11-13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 3-chloro-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide?
3-chloro-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide has a molecular weight of 370.88 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide is sourced from PubChem (CID 146018272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).