2-(3-chlorophenoxy)-N-[1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide

C24H24ClF3N4O2 — CID 11554989

IUPAC2-(3-chlorophenoxy)-N-[1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide
SMILESO=C(COc1cccc(Cl)c1)NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cn3)c2)CC1
InChIInChI=1S/C24H24ClF3N4O2/c25-19-2-1-3-21(12-19)34-16-23(33)30-20-7-9-31(10-8-20)14-17-6-11-32(15-17)22-5-4-18(13-29-22)24(26,27)28/h1-6,11-13,15,20H,7-10,14,16H2,(H,30,33)
InChIKeyADXBHAQACCRLQO-UHFFFAOYSA-N
MW492.93 g/mol
LogP4.70
Rot. Bonds7

About 2-(3-chlorophenoxy)-N-[1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide

2-(3-chlorophenoxy)-N-[1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 11554989) has the molecular formula C24H24ClF3N4O2 and a molecular weight of 492.93 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide
PubChem CID11554989
Molecular FormulaC24H24ClF3N4O2
Molecular Weight492.93 g/mol
Exact Mass492.15
IUPAC Name2-(3-chlorophenoxy)-N-[1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide
SMILESO=C(COc1cccc(Cl)c1)NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cn3)c2)CC1
InChIInChI=1S/C24H24ClF3N4O2/c25-19-2-1-3-21(12-19)34-16-23(33)30-20-7-9-31(10-8-20)14-17-6-11-32(15-17)22-5-4-18(13-29-22)24(26,27)28/h1-6,11-13,15,20H,7-10,14,16H2,(H,30,33)
InChIKeyADXBHAQACCRLQO-UHFFFAOYSA-N
XLogP4.70
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.93
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide (CID 11554989) is 2-(3-chlorophenoxy)-N-[1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide is O=C(COc1cccc(Cl)c1)NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cn3)c2)CC1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is ADXBHAQACCRLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF3N4O2/c25-19-2-1-3-21(12-19)34-16-23(33)30-20-7-9-31(10-8-20)14-17-6-11-32(15-17)22-5-4-18(13-29-22)24(26,27)28/h1-6,11-13,15,20H,7-10,14,16H2,(H,30,33).
What are the key properties of 2-(3-chlorophenoxy)-N-[1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide?
2-(3-chlorophenoxy)-N-[1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 492.93 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[1-[[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 11554989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).