2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(3-bromophenyl)methyl]acetamide

C22H21BrN2O2 — CID 20885262

IUPAC2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(3-bromophenyl)methyl]acetamide
SMILESCC(=O)c1cc(-c2ccccc2)n(CC(=O)NCc2cccc(Br)c2)c1C
InChIInChI=1S/C22H21BrN2O2/c1-15-20(16(2)26)12-21(18-8-4-3-5-9-18)25(15)14-22(27)24-13-17-7-6-10-19(23)11-17/h3-12H,13-14H2,1-2H3,(H,24,27)
InChIKeyKDYDPWGAPMTACK-UHFFFAOYSA-N
MW425.33 g/mol
LogP4.75
Rot. Bonds6

About 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(3-bromophenyl)methyl]acetamide

2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(3-bromophenyl)methyl]acetamide (PubChem CID 20885262) has the molecular formula C22H21BrN2O2 and a molecular weight of 425.33 g/mol. Its IUPAC name is 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(3-bromophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(3-bromophenyl)methyl]acetamide
PubChem CID20885262
Molecular FormulaC22H21BrN2O2
Molecular Weight425.33 g/mol
Exact Mass424.08
IUPAC Name2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(3-bromophenyl)methyl]acetamide
SMILESCC(=O)c1cc(-c2ccccc2)n(CC(=O)NCc2cccc(Br)c2)c1C
InChIInChI=1S/C22H21BrN2O2/c1-15-20(16(2)26)12-21(18-8-4-3-5-9-18)25(15)14-22(27)24-13-17-7-6-10-19(23)11-17/h3-12H,13-14H2,1-2H3,(H,24,27)
InChIKeyKDYDPWGAPMTACK-UHFFFAOYSA-N
XLogP4.75
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.33
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(4-ethoxyphenyl)methyl]acetamide
CID 20885261
N-[(3-bromophenyl)methyl]-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide
CID 51368578
2-(3-acetamido-6-methyl-2-oxo-1-pyridinyl)-N-[(3-bromophenyl)methyl]acetamide
CID 87050372
2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 20969537
N-[(3-bromophenyl)methyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide
CID 53054997
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556
N-[(3-bromophenyl)methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 52572499
methyl 3-[(3-bromophenyl)methylamino]-3-oxopropanoate
CID 115174358
3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-butan-2-ylpropanamide
CID 3394798
N-[(3-bromophenyl)methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide
CID 20907278
N-[(3-bromophenyl)methyl]-2-chloroacetamide
CID 56923497
1-[2-[(3-bromophenyl)methylamino]phenyl]ethanone
CID 102579783

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(3-bromophenyl)methyl]acetamide?
The IUPAC name of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(3-bromophenyl)methyl]acetamide (CID 20885262) is 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(3-bromophenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(3-bromophenyl)methyl]acetamide?
The canonical SMILES for 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(3-bromophenyl)methyl]acetamide is CC(=O)c1cc(-c2ccccc2)n(CC(=O)NCc2cccc(Br)c2)c1C.
What is the InChIKey of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(3-bromophenyl)methyl]acetamide?
The InChIKey is KDYDPWGAPMTACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O2/c1-15-20(16(2)26)12-21(18-8-4-3-5-9-18)25(15)14-22(27)24-13-17-7-6-10-19(23)11-17/h3-12H,13-14H2,1-2H3,(H,24,27).
What are the key properties of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(3-bromophenyl)methyl]acetamide?
2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(3-bromophenyl)methyl]acetamide has a molecular weight of 425.33 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(3-bromophenyl)methyl]acetamide is sourced from PubChem (CID 20885262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).