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

C22H25FN2O2 — CID 138543846

IUPAC4-fluoro-3-methyl-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide
SMILESCCCNC(=O)C1(c2ccc(NC(=O)c3ccc(F)c(C)c3)cc2)CCC1
InChIInChI=1S/C22H25FN2O2/c1-3-13-24-21(27)22(11-4-12-22)17-6-8-18(9-7-17)25-20(26)16-5-10-19(23)15(2)14-16/h5-10,14H,3-4,11-13H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyULQFUWREJMBWPU-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.33
Rot. Bonds6

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

4-fluoro-3-methyl-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide (PubChem CID 138543846) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide
PubChem CID138543846
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name4-fluoro-3-methyl-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide
SMILESCCCNC(=O)C1(c2ccc(NC(=O)c3ccc(F)c(C)c3)cc2)CCC1
InChIInChI=1S/C22H25FN2O2/c1-3-13-24-21(27)22(11-4-12-22)17-6-8-18(9-7-17)25-20(26)16-5-10-19(23)15(2)14-16/h5-10,14H,3-4,11-13H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyULQFUWREJMBWPU-UHFFFAOYSA-N
XLogP4.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide?
The IUPAC name of 4-fluoro-3-methyl-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide (CID 138543846) is 4-fluoro-3-methyl-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide is CCCNC(=O)C1(c2ccc(NC(=O)c3ccc(F)c(C)c3)cc2)CCC1.
What is the InChIKey of 4-fluoro-3-methyl-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide?
The InChIKey is ULQFUWREJMBWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-3-13-24-21(27)22(11-4-12-22)17-6-8-18(9-7-17)25-20(26)16-5-10-19(23)15(2)14-16/h5-10,14H,3-4,11-13H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 4-fluoro-3-methyl-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide?
4-fluoro-3-methyl-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide has a molecular weight of 368.45 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[4-[1-(propylcarbamoyl)cyclobutyl]phenyl]benzamide is sourced from PubChem (CID 138543846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).