N-cyclopropyl-2-(difluoromethoxy)-6-[(1-methylazetidin-3-yl)methoxy]-4-[6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-3-yl]benzamide

C30H35F2N3O5 — CID 178067721

IUPACN-cyclopropyl-2-(difluoromethoxy)-6-[(1-methylazetidin-3-yl)methoxy]-4-[6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-3-yl]benzamide
SMILESCN1CC(COc2cc(-c3coc4cc(OCCN5CCCC5)ccc34)cc(OC(F)F)c2C(=O)NC2CC2)C1
InChIInChI=1S/C30H35F2N3O5/c1-34-15-19(16-34)17-38-26-12-20(13-27(40-30(31)32)28(26)29(36)33-21-4-5-21)24-18-39-25-14-22(6-7-23(24)25)37-11-10-35-8-2-3-9-35/h6-7,12-14,18-19,21,30H,2-5,8-11,15-17H2,1H3,(H,33,36)
InChIKeyGGRHKHLIFLQOLB-UHFFFAOYSA-N
MW555.62 g/mol
LogP5.01
Rot. Bonds12

About N-cyclopropyl-2-(difluoromethoxy)-6-[(1-methylazetidin-3-yl)methoxy]-4-[6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-3-yl]benzamide

N-cyclopropyl-2-(difluoromethoxy)-6-[(1-methylazetidin-3-yl)methoxy]-4-[6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-3-yl]benzamide (PubChem CID 178067721) has the molecular formula C30H35F2N3O5 and a molecular weight of 555.62 g/mol. Its IUPAC name is N-cyclopropyl-2-(difluoromethoxy)-6-[(1-methylazetidin-3-yl)methoxy]-4-[6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(difluoromethoxy)-6-[(1-methylazetidin-3-yl)methoxy]-4-[6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-3-yl]benzamide
PubChem CID178067721
Molecular FormulaC30H35F2N3O5
Molecular Weight555.62 g/mol
Exact Mass555.25
IUPAC NameN-cyclopropyl-2-(difluoromethoxy)-6-[(1-methylazetidin-3-yl)methoxy]-4-[6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-3-yl]benzamide
SMILESCN1CC(COc2cc(-c3coc4cc(OCCN5CCCC5)ccc34)cc(OC(F)F)c2C(=O)NC2CC2)C1
InChIInChI=1S/C30H35F2N3O5/c1-34-15-19(16-34)17-38-26-12-20(13-27(40-30(31)32)28(26)29(36)33-21-4-5-21)24-18-39-25-14-22(6-7-23(24)25)37-11-10-35-8-2-3-9-35/h6-7,12-14,18-19,21,30H,2-5,8-11,15-17H2,1H3,(H,33,36)
InChIKeyGGRHKHLIFLQOLB-UHFFFAOYSA-N
XLogP5.01
TPSA76.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.62
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-[2-(azetidin-1-yl)ethoxy]-1-benzofuran-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide
CID 178067522
2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxy-4-[6-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]-1-benzofuran-3-yl]benzamide
CID 178067571
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 146273484
2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-4-(6-hydroxy-1-benzofuran-3-yl)-6-methoxybenzamide
CID 178067569
methyl 1-[2-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]azetidine-3-carboxylate
CID 146273414
2-[8-methoxy-1-oxo-6-[6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-3-yl]-3,4-dihydroisoquinolin-2-yl]acetonitrile
CID 178067554
4-[7-[2-(2-cyanomorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
CID 146275387
N-cyclopropyl-2-(difluoromethoxy)-4-[7-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide
CID 146273345
7-[5-(4-ethylpiperidin-1-yl)pentoxy]-3-(4-hydroxyphenyl)chromen-4-one
CID 56640468
2-[4-[5-[(3-phenyl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 25064629
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]benzamide
CID 146273462
2-[4-[5-[[3-(4-cyanophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 25064630

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-6-[(1-methylazetidin-3-yl)methoxy]-4-[6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-6-[(1-methylazetidin-3-yl)methoxy]-4-[6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-3-yl]benzamide (CID 178067721) is N-cyclopropyl-2-(difluoromethoxy)-6-[(1-methylazetidin-3-yl)methoxy]-4-[6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-(difluoromethoxy)-6-[(1-methylazetidin-3-yl)methoxy]-4-[6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-2-(difluoromethoxy)-6-[(1-methylazetidin-3-yl)methoxy]-4-[6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-3-yl]benzamide is CN1CC(COc2cc(-c3coc4cc(OCCN5CCCC5)ccc34)cc(OC(F)F)c2C(=O)NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-2-(difluoromethoxy)-6-[(1-methylazetidin-3-yl)methoxy]-4-[6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-3-yl]benzamide?
The InChIKey is GGRHKHLIFLQOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F2N3O5/c1-34-15-19(16-34)17-38-26-12-20(13-27(40-30(31)32)28(26)29(36)33-21-4-5-21)24-18-39-25-14-22(6-7-23(24)25)37-11-10-35-8-2-3-9-35/h6-7,12-14,18-19,21,30H,2-5,8-11,15-17H2,1H3,(H,33,36).
What are the key properties of N-cyclopropyl-2-(difluoromethoxy)-6-[(1-methylazetidin-3-yl)methoxy]-4-[6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-3-yl]benzamide?
N-cyclopropyl-2-(difluoromethoxy)-6-[(1-methylazetidin-3-yl)methoxy]-4-[6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-3-yl]benzamide has a molecular weight of 555.62 g/mol, XLogP of 5.01, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(difluoromethoxy)-6-[(1-methylazetidin-3-yl)methoxy]-4-[6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 178067721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).