3-cyclopentyl-N-[4-[(3,4-difluorophenyl)methoxy]-2,6-dimethylcyclohexa-2,4-dien-1-yl]propanamide

C23H29F2NO2 — CID 70927589

IUPAC3-cyclopentyl-N-[4-[(3,4-difluorophenyl)methoxy]-2,6-dimethylcyclohexa-2,4-dien-1-yl]propanamide
SMILESCC1=CC(OCc2ccc(F)c(F)c2)=CC(C)C1NC(=O)CCC1CCCC1
InChIInChI=1S/C23H29F2NO2/c1-15-11-19(28-14-18-7-9-20(24)21(25)13-18)12-16(2)23(15)26-22(27)10-8-17-5-3-4-6-17/h7,9,11-13,15,17,23H,3-6,8,10,14H2,1-2H3,(H,26,27)
InChIKeyFYSGPUMYFVODAX-UHFFFAOYSA-N
MW389.49 g/mol
LogP5.42
Rot. Bonds7

About 3-cyclopentyl-N-[4-[(3,4-difluorophenyl)methoxy]-2,6-dimethylcyclohexa-2,4-dien-1-yl]propanamide

3-cyclopentyl-N-[4-[(3,4-difluorophenyl)methoxy]-2,6-dimethylcyclohexa-2,4-dien-1-yl]propanamide (PubChem CID 70927589) has the molecular formula C23H29F2NO2 and a molecular weight of 389.49 g/mol. Its IUPAC name is 3-cyclopentyl-N-[4-[(3,4-difluorophenyl)methoxy]-2,6-dimethylcyclohexa-2,4-dien-1-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[4-[(3,4-difluorophenyl)methoxy]-2,6-dimethylcyclohexa-2,4-dien-1-yl]propanamide
PubChem CID70927589
Molecular FormulaC23H29F2NO2
Molecular Weight389.49 g/mol
Exact Mass389.22
IUPAC Name3-cyclopentyl-N-[4-[(3,4-difluorophenyl)methoxy]-2,6-dimethylcyclohexa-2,4-dien-1-yl]propanamide
SMILESCC1=CC(OCc2ccc(F)c(F)c2)=CC(C)C1NC(=O)CCC1CCCC1
InChIInChI=1S/C23H29F2NO2/c1-15-11-19(28-14-18-7-9-20(24)21(25)13-18)12-16(2)23(15)26-22(27)10-8-17-5-3-4-6-17/h7,9,11-13,15,17,23H,3-6,8,10,14H2,1-2H3,(H,26,27)
InChIKeyFYSGPUMYFVODAX-UHFFFAOYSA-N
XLogP5.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.49
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[4-[(3,4-difluorophenyl)methoxy]-2,6-dimethylcyclohexa-2,4-dien-1-yl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[4-[(3,4-difluorophenyl)methoxy]-2,6-dimethylcyclohexa-2,4-dien-1-yl]propanamide (CID 70927589) is 3-cyclopentyl-N-[4-[(3,4-difluorophenyl)methoxy]-2,6-dimethylcyclohexa-2,4-dien-1-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[4-[(3,4-difluorophenyl)methoxy]-2,6-dimethylcyclohexa-2,4-dien-1-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[4-[(3,4-difluorophenyl)methoxy]-2,6-dimethylcyclohexa-2,4-dien-1-yl]propanamide is CC1=CC(OCc2ccc(F)c(F)c2)=CC(C)C1NC(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-[4-[(3,4-difluorophenyl)methoxy]-2,6-dimethylcyclohexa-2,4-dien-1-yl]propanamide?
The InChIKey is FYSGPUMYFVODAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2NO2/c1-15-11-19(28-14-18-7-9-20(24)21(25)13-18)12-16(2)23(15)26-22(27)10-8-17-5-3-4-6-17/h7,9,11-13,15,17,23H,3-6,8,10,14H2,1-2H3,(H,26,27).
What are the key properties of 3-cyclopentyl-N-[4-[(3,4-difluorophenyl)methoxy]-2,6-dimethylcyclohexa-2,4-dien-1-yl]propanamide?
3-cyclopentyl-N-[4-[(3,4-difluorophenyl)methoxy]-2,6-dimethylcyclohexa-2,4-dien-1-yl]propanamide has a molecular weight of 389.49 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[4-[(3,4-difluorophenyl)methoxy]-2,6-dimethylcyclohexa-2,4-dien-1-yl]propanamide is sourced from PubChem (CID 70927589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).