2-benzyl-3-(1-fluorocyclopropyl)-N-(8-fluoroquinolin-3-yl)-2-methylpropanamide

C23H22F2N2O — CID 147294248

IUPAC2-benzyl-3-(1-fluorocyclopropyl)-N-(8-fluoroquinolin-3-yl)-2-methylpropanamide
SMILESCC(Cc1ccccc1)(CC1(F)CC1)C(=O)Nc1cnc2c(F)cccc2c1
InChIInChI=1S/C23H22F2N2O/c1-22(15-23(25)10-11-23,13-16-6-3-2-4-7-16)21(28)27-18-12-17-8-5-9-19(24)20(17)26-14-18/h2-9,12,14H,10-11,13,15H2,1H3,(H,27,28)
InChIKeyCUUJPTFCDBMRCS-UHFFFAOYSA-N
MW380.44 g/mol
LogP5.45
Rot. Bonds6

About 2-benzyl-3-(1-fluorocyclopropyl)-N-(8-fluoroquinolin-3-yl)-2-methylpropanamide

2-benzyl-3-(1-fluorocyclopropyl)-N-(8-fluoroquinolin-3-yl)-2-methylpropanamide (PubChem CID 147294248) has the molecular formula C23H22F2N2O and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-benzyl-3-(1-fluorocyclopropyl)-N-(8-fluoroquinolin-3-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-benzyl-3-(1-fluorocyclopropyl)-N-(8-fluoroquinolin-3-yl)-2-methylpropanamide
PubChem CID147294248
Molecular FormulaC23H22F2N2O
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-benzyl-3-(1-fluorocyclopropyl)-N-(8-fluoroquinolin-3-yl)-2-methylpropanamide
SMILESCC(Cc1ccccc1)(CC1(F)CC1)C(=O)Nc1cnc2c(F)cccc2c1
InChIInChI=1S/C23H22F2N2O/c1-22(15-23(25)10-11-23,13-16-6-3-2-4-7-16)21(28)27-18-12-17-8-5-9-19(24)20(17)26-14-18/h2-9,12,14H,10-11,13,15H2,1H3,(H,27,28)
InChIKeyCUUJPTFCDBMRCS-UHFFFAOYSA-N
XLogP5.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.44
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(1-fluorocyclopropyl)-N-(8-fluoroquinolin-3-yl)-2-methylpropanamide?
The IUPAC name of 2-benzyl-3-(1-fluorocyclopropyl)-N-(8-fluoroquinolin-3-yl)-2-methylpropanamide (CID 147294248) is 2-benzyl-3-(1-fluorocyclopropyl)-N-(8-fluoroquinolin-3-yl)-2-methylpropanamide.
What is the SMILES notation for 2-benzyl-3-(1-fluorocyclopropyl)-N-(8-fluoroquinolin-3-yl)-2-methylpropanamide?
The canonical SMILES for 2-benzyl-3-(1-fluorocyclopropyl)-N-(8-fluoroquinolin-3-yl)-2-methylpropanamide is CC(Cc1ccccc1)(CC1(F)CC1)C(=O)Nc1cnc2c(F)cccc2c1.
What is the InChIKey of 2-benzyl-3-(1-fluorocyclopropyl)-N-(8-fluoroquinolin-3-yl)-2-methylpropanamide?
The InChIKey is CUUJPTFCDBMRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O/c1-22(15-23(25)10-11-23,13-16-6-3-2-4-7-16)21(28)27-18-12-17-8-5-9-19(24)20(17)26-14-18/h2-9,12,14H,10-11,13,15H2,1H3,(H,27,28).
What are the key properties of 2-benzyl-3-(1-fluorocyclopropyl)-N-(8-fluoroquinolin-3-yl)-2-methylpropanamide?
2-benzyl-3-(1-fluorocyclopropyl)-N-(8-fluoroquinolin-3-yl)-2-methylpropanamide has a molecular weight of 380.44 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(1-fluorocyclopropyl)-N-(8-fluoroquinolin-3-yl)-2-methylpropanamide is sourced from PubChem (CID 147294248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).