N-(2-chloro-4-fluorophenyl)-N-cyclopentyl-2-isoquinolin-5-yloxy-2-methylpropanamide

C24H24ClFN2O2 — CID 46937488

IUPACN-(2-chloro-4-fluorophenyl)-N-cyclopentyl-2-isoquinolin-5-yloxy-2-methylpropanamide
SMILESCC(C)(Oc1cccc2cnccc12)C(=O)N(c1ccc(F)cc1Cl)C1CCCC1
InChIInChI=1S/C24H24ClFN2O2/c1-24(2,30-22-9-5-6-16-15-27-13-12-19(16)22)23(29)28(18-7-3-4-8-18)21-11-10-17(26)14-20(21)25/h5-6,9-15,18H,3-4,7-8H2,1-2H3
InChIKeyHORUNRFSJHPWID-UHFFFAOYSA-N
MW426.92 g/mol
LogP6.16
Rot. Bonds5

About N-(2-chloro-4-fluorophenyl)-N-cyclopentyl-2-isoquinolin-5-yloxy-2-methylpropanamide

N-(2-chloro-4-fluorophenyl)-N-cyclopentyl-2-isoquinolin-5-yloxy-2-methylpropanamide (PubChem CID 46937488) has the molecular formula C24H24ClFN2O2 and a molecular weight of 426.92 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-N-cyclopentyl-2-isoquinolin-5-yloxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-N-cyclopentyl-2-isoquinolin-5-yloxy-2-methylpropanamide
PubChem CID46937488
Molecular FormulaC24H24ClFN2O2
Molecular Weight426.92 g/mol
Exact Mass426.15
IUPAC NameN-(2-chloro-4-fluorophenyl)-N-cyclopentyl-2-isoquinolin-5-yloxy-2-methylpropanamide
SMILESCC(C)(Oc1cccc2cnccc12)C(=O)N(c1ccc(F)cc1Cl)C1CCCC1
InChIInChI=1S/C24H24ClFN2O2/c1-24(2,30-22-9-5-6-16-15-27-13-12-19(16)22)23(29)28(18-7-3-4-8-18)21-11-10-17(26)14-20(21)25/h5-6,9-15,18H,3-4,7-8H2,1-2H3
InChIKeyHORUNRFSJHPWID-UHFFFAOYSA-N
XLogP6.16
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.92
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-isoquinolin-5-yloxy-N-pentan-3-ylacetamide
CID 46937484
5-[[2-(2-chloro-4-fluorophenyl)phenyl]methoxy]isoquinoline
CID 46935828
N-cyclohexyl-2-(isoquinolin-5-yloxymethyl)-N-methyl-1,3-oxazole-4-carboxamide
CID 26391353
N-[(2-chloro-4-fluorophenyl)methyl]isoquinoline-5-sulfonamide
CID 25042474
2-chloro-4-fluoro-N-(isoquinolin-5-ylmethyl)aniline
CID 62825466
isoquinolin-5-yl trifluoromethanesulfonate
CID 15171927
5-[(1S,2S)-2-phenylcyclopentyl]oxyisoquinoline
CID 158059223
2-cyclopentyl-N-[2,4-dichloro-3-(isoquinolin-5-yloxymethyl)phenyl]propanamide
CID 91494143
N-[3,4-dichloro-2-(isoquinolin-5-yloxymethyl)phenyl]acetamide
CID 86198865
4-chloro-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
CID 81228554
N-(2-chloro-4-fluorophenyl)-N-fluoropyridine-3-carboxamide
CID 171502142
[3-(2-chlorophenyl)pyrrolidin-1-yl]-[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]methanone
CID 24791219

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-N-cyclopentyl-2-isoquinolin-5-yloxy-2-methylpropanamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-N-cyclopentyl-2-isoquinolin-5-yloxy-2-methylpropanamide (CID 46937488) is N-(2-chloro-4-fluorophenyl)-N-cyclopentyl-2-isoquinolin-5-yloxy-2-methylpropanamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-N-cyclopentyl-2-isoquinolin-5-yloxy-2-methylpropanamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-N-cyclopentyl-2-isoquinolin-5-yloxy-2-methylpropanamide is CC(C)(Oc1cccc2cnccc12)C(=O)N(c1ccc(F)cc1Cl)C1CCCC1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-N-cyclopentyl-2-isoquinolin-5-yloxy-2-methylpropanamide?
The InChIKey is HORUNRFSJHPWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN2O2/c1-24(2,30-22-9-5-6-16-15-27-13-12-19(16)22)23(29)28(18-7-3-4-8-18)21-11-10-17(26)14-20(21)25/h5-6,9-15,18H,3-4,7-8H2,1-2H3.
What are the key properties of N-(2-chloro-4-fluorophenyl)-N-cyclopentyl-2-isoquinolin-5-yloxy-2-methylpropanamide?
N-(2-chloro-4-fluorophenyl)-N-cyclopentyl-2-isoquinolin-5-yloxy-2-methylpropanamide has a molecular weight of 426.92 g/mol, XLogP of 6.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-N-cyclopentyl-2-isoquinolin-5-yloxy-2-methylpropanamide is sourced from PubChem (CID 46937488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).