3-[4-(cyclopentylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide

C23H24F2N2O2 — CID 135293945

IUPAC3-[4-(cyclopentylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NC2CCCC2)c(F)c1
InChIInChI=1S/C23H24F2N2O2/c1-13-19(10-15(12-20(13)24)22(28)26-17-7-8-17)14-6-9-18(21(25)11-14)23(29)27-16-4-2-3-5-16/h6,9-12,16-17H,2-5,7-8H2,1H3,(H,26,28)(H,27,29)
InChIKeyDTMOKADTOGQWJZ-UHFFFAOYSA-N
MW398.45 g/mol
LogP4.50
Rot. Bonds5

About 3-[4-(cyclopentylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide

3-[4-(cyclopentylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide (PubChem CID 135293945) has the molecular formula C23H24F2N2O2 and a molecular weight of 398.45 g/mol. Its IUPAC name is 3-[4-(cyclopentylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-[4-(cyclopentylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
PubChem CID135293945
Molecular FormulaC23H24F2N2O2
Molecular Weight398.45 g/mol
Exact Mass398.18
IUPAC Name3-[4-(cyclopentylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NC2CCCC2)c(F)c1
InChIInChI=1S/C23H24F2N2O2/c1-13-19(10-15(12-20(13)24)22(28)26-17-7-8-17)14-6-9-18(21(25)11-14)23(29)27-16-4-2-3-5-16/h6,9-12,16-17H,2-5,7-8H2,1H3,(H,26,28)(H,27,29)
InChIKeyDTMOKADTOGQWJZ-UHFFFAOYSA-N
XLogP4.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopentylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-[4-(cyclopentylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide (CID 135293945) is 3-[4-(cyclopentylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-[4-(cyclopentylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-[4-(cyclopentylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide is Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NC2CCCC2)c(F)c1.
What is the InChIKey of 3-[4-(cyclopentylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide?
The InChIKey is DTMOKADTOGQWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O2/c1-13-19(10-15(12-20(13)24)22(28)26-17-7-8-17)14-6-9-18(21(25)11-14)23(29)27-16-4-2-3-5-16/h6,9-12,16-17H,2-5,7-8H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 3-[4-(cyclopentylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide?
3-[4-(cyclopentylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide has a molecular weight of 398.45 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopentylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 135293945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).