2-(4-pyrrol-1-ylphenyl)-N-[(3R)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]pyrrolidin-3-yl]acetamide

C28H28N4O2 — CID 166324544

IUPAC2-(4-pyrrol-1-ylphenyl)-N-[(3R)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]pyrrolidin-3-yl]acetamide
SMILESO=C(Cc1ccc(-n2cccc2)cc1)N[C@@H]1CCN(C(=O)Cc2ccc(-n3cccc3)cc2)C1
InChIInChI=1S/C28H28N4O2/c33-27(19-22-5-9-25(10-6-22)30-14-1-2-15-30)29-24-13-18-32(21-24)28(34)20-23-7-11-26(12-8-23)31-16-3-4-17-31/h1-12,14-17,24H,13,18-21H2,(H,29,33)/t24-/m1/s1
InChIKeyGURJFDAUGFBCEB-XMMPIXPASA-N
MW452.56 g/mol
LogP3.77
Rot. Bonds7

About 2-(4-pyrrol-1-ylphenyl)-N-[(3R)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]pyrrolidin-3-yl]acetamide

2-(4-pyrrol-1-ylphenyl)-N-[(3R)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]pyrrolidin-3-yl]acetamide (PubChem CID 166324544) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 2-(4-pyrrol-1-ylphenyl)-N-[(3R)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-pyrrol-1-ylphenyl)-N-[(3R)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]pyrrolidin-3-yl]acetamide
PubChem CID166324544
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC Name2-(4-pyrrol-1-ylphenyl)-N-[(3R)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]pyrrolidin-3-yl]acetamide
SMILESO=C(Cc1ccc(-n2cccc2)cc1)N[C@@H]1CCN(C(=O)Cc2ccc(-n3cccc3)cc2)C1
InChIInChI=1S/C28H28N4O2/c33-27(19-22-5-9-25(10-6-22)30-14-1-2-15-30)29-24-13-18-32(21-24)28(34)20-23-7-11-26(12-8-23)31-16-3-4-17-31/h1-12,14-17,24H,13,18-21H2,(H,29,33)/t24-/m1/s1
InChIKeyGURJFDAUGFBCEB-XMMPIXPASA-N
XLogP3.77
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]acetamide
CID 108551296
N-[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]butanamide
CID 119761681
N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide
CID 110820721
2-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 79029330
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-(4-fluorophenyl)acetamide
CID 110871474
1-(4-methylsulfonylpiperazin-1-yl)-2-(4-pyrrol-1-ylphenyl)ethanone
CID 131961363
1-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone
CID 86966362
2-(4-methoxyphenyl)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108549864
N-[1-[2-(4-aminophenyl)acetyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride
CID 119793520
4-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pentanamide
CID 108558077
N-methyl-2-(4-pyrrol-1-ylphenyl)acetamide
CID 47172440
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108559477

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrol-1-ylphenyl)-N-[(3R)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(4-pyrrol-1-ylphenyl)-N-[(3R)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]pyrrolidin-3-yl]acetamide (CID 166324544) is 2-(4-pyrrol-1-ylphenyl)-N-[(3R)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-pyrrol-1-ylphenyl)-N-[(3R)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(4-pyrrol-1-ylphenyl)-N-[(3R)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]pyrrolidin-3-yl]acetamide is O=C(Cc1ccc(-n2cccc2)cc1)N[C@@H]1CCN(C(=O)Cc2ccc(-n3cccc3)cc2)C1.
What is the InChIKey of 2-(4-pyrrol-1-ylphenyl)-N-[(3R)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]pyrrolidin-3-yl]acetamide?
The InChIKey is GURJFDAUGFBCEB-XMMPIXPASA-N. The full InChI is InChI=1S/C28H28N4O2/c33-27(19-22-5-9-25(10-6-22)30-14-1-2-15-30)29-24-13-18-32(21-24)28(34)20-23-7-11-26(12-8-23)31-16-3-4-17-31/h1-12,14-17,24H,13,18-21H2,(H,29,33)/t24-/m1/s1.
What are the key properties of 2-(4-pyrrol-1-ylphenyl)-N-[(3R)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]pyrrolidin-3-yl]acetamide?
2-(4-pyrrol-1-ylphenyl)-N-[(3R)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]pyrrolidin-3-yl]acetamide has a molecular weight of 452.56 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrol-1-ylphenyl)-N-[(3R)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 166324544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).