2-(3-chlorophenoxy)-N-methyl-N-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide

C26H27ClF3N3O2 — CID 11677806

IUPAC2-(3-chlorophenoxy)-N-methyl-N-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide
SMILESCN(C(=O)COc1cccc(Cl)c1)C1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1
InChIInChI=1S/C26H27ClF3N3O2/c1-31(25(34)18-35-24-4-2-3-21(27)15-24)22-10-12-32(13-11-22)16-19-9-14-33(17-19)23-7-5-20(6-8-23)26(28,29)30/h2-9,14-15,17,22H,10-13,16,18H2,1H3
InChIKeyNRFMYVIQTLQHOP-UHFFFAOYSA-N
MW505.97 g/mol
LogP5.65
Rot. Bonds7

About 2-(3-chlorophenoxy)-N-methyl-N-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide

2-(3-chlorophenoxy)-N-methyl-N-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 11677806) has the molecular formula C26H27ClF3N3O2 and a molecular weight of 505.97 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-methyl-N-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-methyl-N-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide
PubChem CID11677806
Molecular FormulaC26H27ClF3N3O2
Molecular Weight505.97 g/mol
Exact Mass505.17
IUPAC Name2-(3-chlorophenoxy)-N-methyl-N-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide
SMILESCN(C(=O)COc1cccc(Cl)c1)C1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1
InChIInChI=1S/C26H27ClF3N3O2/c1-31(25(34)18-35-24-4-2-3-21(27)15-24)22-10-12-32(13-11-22)16-19-9-14-33(17-19)23-7-5-20(6-8-23)26(28,29)30/h2-9,14-15,17,22H,10-13,16,18H2,1H3
InChIKeyNRFMYVIQTLQHOP-UHFFFAOYSA-N
XLogP5.65
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.97
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-chlorophenoxy)-N-methyl-N-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-methyl-N-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-methyl-N-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide (CID 11677806) is 2-(3-chlorophenoxy)-N-methyl-N-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-methyl-N-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-methyl-N-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide is CN(C(=O)COc1cccc(Cl)c1)C1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-methyl-N-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is NRFMYVIQTLQHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClF3N3O2/c1-31(25(34)18-35-24-4-2-3-21(27)15-24)22-10-12-32(13-11-22)16-19-9-14-33(17-19)23-7-5-20(6-8-23)26(28,29)30/h2-9,14-15,17,22H,10-13,16,18H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-N-methyl-N-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide?
2-(3-chlorophenoxy)-N-methyl-N-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 505.97 g/mol, XLogP of 5.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-methyl-N-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 11677806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).