N-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide

C24H27F3N2O3 — CID 123718547

IUPACN-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(OC2CCN(c3ccc(OCC4CC4(F)F)cc3F)C2)cc1
InChIInChI=1S/C24H27F3N2O3/c1-15(28-16(2)30)17-3-5-19(6-4-17)32-21-9-10-29(13-21)23-8-7-20(11-22(23)25)31-14-18-12-24(18,26)27/h3-8,11,15,18,21H,9-10,12-14H2,1-2H3,(H,28,30)
InChIKeyJQUAMDRECRQAHF-UHFFFAOYSA-N
MW448.49 g/mol
LogP4.71
Rot. Bonds8

About N-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide

N-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (PubChem CID 123718547) has the molecular formula C24H27F3N2O3 and a molecular weight of 448.49 g/mol. Its IUPAC name is N-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
PubChem CID123718547
Molecular FormulaC24H27F3N2O3
Molecular Weight448.49 g/mol
Exact Mass448.20
IUPAC NameN-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(OC2CCN(c3ccc(OCC4CC4(F)F)cc3F)C2)cc1
InChIInChI=1S/C24H27F3N2O3/c1-15(28-16(2)30)17-3-5-19(6-4-17)32-21-9-10-29(13-21)23-8-7-20(11-22(23)25)31-14-18-12-24(18,26)27/h3-8,11,15,18,21H,9-10,12-14H2,1-2H3,(H,28,30)
InChIKeyJQUAMDRECRQAHF-UHFFFAOYSA-N
XLogP4.71
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-methoxyphenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123166768
N-[(1S)-1-[4-[1-(4-ethoxy-2-fluorophenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 118473436
N-[(1S)-1-[4-[1-[2-fluoro-4-(2-methoxyethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 118473386
N-[1-[4-[1-[2-fluoro-4-(oxolan-3-yloxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123701770
N-[1-[4-[1-[7-[(2,2-difluorocyclopropyl)methoxy]-4H-azepin-2-yl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123649257
N-[1-[4-[1-(4-ethoxy-2-methylphenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123373730
1-[(1S)-1-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-3-methylurea
CID 91668860
N-[(1S)-1-[4-[(3R)-1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]propanamide
CID 163549545
N-[(1S)-1-[4-[1-[5-[[(1R)-2,2-difluorocyclopropyl]methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]cyclopropanecarboxamide
CID 90315502
N-[1-[4-[1-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123772776
1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]azetidine
CID 157099128
N-[(1S)-1-[4-[1-(2-chloro-4-propoxyphenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 118473329

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (CID 123718547) is N-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is CC(=O)NC(C)c1ccc(OC2CCN(c3ccc(OCC4CC4(F)F)cc3F)C2)cc1.
What is the InChIKey of N-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The InChIKey is JQUAMDRECRQAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O3/c1-15(28-16(2)30)17-3-5-19(6-4-17)32-21-9-10-29(13-21)23-8-7-20(11-22(23)25)31-14-18-12-24(18,26)27/h3-8,11,15,18,21H,9-10,12-14H2,1-2H3,(H,28,30).
What are the key properties of N-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
N-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide has a molecular weight of 448.49 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 123718547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).