N-(2-cyclopentyloxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide

C22H26FNO4 — CID 70688885

IUPACN-(2-cyclopentyloxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide
SMILESCOc1ccc(OC)c(CN(C(=O)CF)c2ccccc2OC2CCCC2)c1
InChIInChI=1S/C22H26FNO4/c1-26-18-11-12-20(27-2)16(13-18)15-24(22(25)14-23)19-9-5-6-10-21(19)28-17-7-3-4-8-17/h5-6,9-13,17H,3-4,7-8,14-15H2,1-2H3
InChIKeyZLLAFKHEBPNRAH-UHFFFAOYSA-N
MW387.45 g/mol
LogP4.53
Rot. Bonds8

About N-(2-cyclopentyloxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide

N-(2-cyclopentyloxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide (PubChem CID 70688885) has the molecular formula C22H26FNO4 and a molecular weight of 387.45 g/mol. Its IUPAC name is N-(2-cyclopentyloxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide.

Molecular Properties

Compound NameN-(2-cyclopentyloxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide
PubChem CID70688885
Molecular FormulaC22H26FNO4
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC NameN-(2-cyclopentyloxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide
SMILESCOc1ccc(OC)c(CN(C(=O)CF)c2ccccc2OC2CCCC2)c1
InChIInChI=1S/C22H26FNO4/c1-26-18-11-12-20(27-2)16(13-18)15-24(22(25)14-23)19-9-5-6-10-21(19)28-17-7-3-4-8-17/h5-6,9-13,17H,3-4,7-8,14-15H2,1-2H3
InChIKeyZLLAFKHEBPNRAH-UHFFFAOYSA-N
XLogP4.53
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide?
The IUPAC name of N-(2-cyclopentyloxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide (CID 70688885) is N-(2-cyclopentyloxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide.
What is the SMILES notation for N-(2-cyclopentyloxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide?
The canonical SMILES for N-(2-cyclopentyloxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide is COc1ccc(OC)c(CN(C(=O)CF)c2ccccc2OC2CCCC2)c1.
What is the InChIKey of N-(2-cyclopentyloxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide?
The InChIKey is ZLLAFKHEBPNRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO4/c1-26-18-11-12-20(27-2)16(13-18)15-24(22(25)14-23)19-9-5-6-10-21(19)28-17-7-3-4-8-17/h5-6,9-13,17H,3-4,7-8,14-15H2,1-2H3.
What are the key properties of N-(2-cyclopentyloxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide?
N-(2-cyclopentyloxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide has a molecular weight of 387.45 g/mol, XLogP of 4.53, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide is sourced from PubChem (CID 70688885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).