N-(2-bromophenyl)-2-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide

C19H23BrN4O2 — CID 8976052

IUPACN-(2-bromophenyl)-2-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide
SMILESCn1cccc1[C@@H]1CCCN1CC(=O)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C19H23BrN4O2/c1-23-10-4-8-16(23)17-9-5-11-24(17)13-19(26)21-12-18(25)22-15-7-3-2-6-14(15)20/h2-4,6-8,10,17H,5,9,11-13H2,1H3,(H,21,26)(H,22,25)/t17-/m0/s1
InChIKeyUTMCOXFXDKKAIQ-KRWDZBQOSA-N
MW419.32 g/mol
LogP2.68
Rot. Bonds6

About N-(2-bromophenyl)-2-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide

N-(2-bromophenyl)-2-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide (PubChem CID 8976052) has the molecular formula C19H23BrN4O2 and a molecular weight of 419.32 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide
PubChem CID8976052
Molecular FormulaC19H23BrN4O2
Molecular Weight419.32 g/mol
Exact Mass418.10
IUPAC NameN-(2-bromophenyl)-2-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide
SMILESCn1cccc1[C@@H]1CCCN1CC(=O)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C19H23BrN4O2/c1-23-10-4-8-16(23)17-9-5-11-24(17)13-19(26)21-12-18(25)22-15-7-3-2-6-14(15)20/h2-4,6-8,10,17H,5,9,11-13H2,1H3,(H,21,26)(H,22,25)/t17-/m0/s1
InChIKeyUTMCOXFXDKKAIQ-KRWDZBQOSA-N
XLogP2.68
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide
CID 8976124
2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide
CID 8976439
2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 7775025
N-(4-fluorophenyl)-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 8976718
N-(4-fluorophenyl)-2-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 8976713
N-[2-(2-fluorophenyl)ethyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8976486
N-[(3-chlorophenyl)methyl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8975591
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2-bromophenyl)acetamide
CID 11931200
N,N-diethyl-4-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 8974677
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 17441509
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8975070
methyl 1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62025955

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide (CID 8976052) is N-(2-bromophenyl)-2-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide is Cn1cccc1[C@@H]1CCCN1CC(=O)NCC(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide?
The InChIKey is UTMCOXFXDKKAIQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23BrN4O2/c1-23-10-4-8-16(23)17-9-5-11-24(17)13-19(26)21-12-18(25)22-15-7-3-2-6-14(15)20/h2-4,6-8,10,17H,5,9,11-13H2,1H3,(H,21,26)(H,22,25)/t17-/m0/s1.
What are the key properties of N-(2-bromophenyl)-2-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide?
N-(2-bromophenyl)-2-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide has a molecular weight of 419.32 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide is sourced from PubChem (CID 8976052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).