N-(4-acetamidophenyl)-4-[[(2S)-2-ethyl-2,5-dihydropyrrol-1-yl]methyl]benzamide

C22H25N3O2 — CID 95144206

IUPACN-(4-acetamidophenyl)-4-[[(2S)-2-ethyl-2,5-dihydropyrrol-1-yl]methyl]benzamide
SMILESCC[C@H]1C=CCN1Cc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C22H25N3O2/c1-3-21-5-4-14-25(21)15-17-6-8-18(9-7-17)22(27)24-20-12-10-19(11-13-20)23-16(2)26/h4-13,21H,3,14-15H2,1-2H3,(H,23,26)(H,24,27)/t21-/m0/s1
InChIKeyZIFHQIURSHOIMX-NRFANRHFSA-N
MW363.46 g/mol
LogP4.05
Rot. Bonds6

About N-(4-acetamidophenyl)-4-[[(2S)-2-ethyl-2,5-dihydropyrrol-1-yl]methyl]benzamide

N-(4-acetamidophenyl)-4-[[(2S)-2-ethyl-2,5-dihydropyrrol-1-yl]methyl]benzamide (PubChem CID 95144206) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-[[(2S)-2-ethyl-2,5-dihydropyrrol-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-[[(2S)-2-ethyl-2,5-dihydropyrrol-1-yl]methyl]benzamide
PubChem CID95144206
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-(4-acetamidophenyl)-4-[[(2S)-2-ethyl-2,5-dihydropyrrol-1-yl]methyl]benzamide
SMILESCC[C@H]1C=CCN1Cc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C22H25N3O2/c1-3-21-5-4-14-25(21)15-17-6-8-18(9-7-17)22(27)24-20-12-10-19(11-13-20)23-16(2)26/h4-13,21H,3,14-15H2,1-2H3,(H,23,26)(H,24,27)/t21-/m0/s1
InChIKeyZIFHQIURSHOIMX-NRFANRHFSA-N
XLogP4.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(6-methylpyridazin-3-yl)-4-[(2-propyl-2,5-dihydropyrrol-1-yl)methyl]benzamide
CID 50960208
4-[2-(4-acetamidophenyl)acetyl]-N-[4-(2-oxopropyl)phenyl]benzamide
CID 160995920
4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide
CID 27648779
N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578
4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid
CID 155141284
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046
N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 5132306
1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048426
4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 108760627
4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide
CID 38105181
N-(4-butylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 30388448

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-[[(2S)-2-ethyl-2,5-dihydropyrrol-1-yl]methyl]benzamide?
The IUPAC name of N-(4-acetamidophenyl)-4-[[(2S)-2-ethyl-2,5-dihydropyrrol-1-yl]methyl]benzamide (CID 95144206) is N-(4-acetamidophenyl)-4-[[(2S)-2-ethyl-2,5-dihydropyrrol-1-yl]methyl]benzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-[[(2S)-2-ethyl-2,5-dihydropyrrol-1-yl]methyl]benzamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-[[(2S)-2-ethyl-2,5-dihydropyrrol-1-yl]methyl]benzamide is CC[C@H]1C=CCN1Cc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4-[[(2S)-2-ethyl-2,5-dihydropyrrol-1-yl]methyl]benzamide?
The InChIKey is ZIFHQIURSHOIMX-NRFANRHFSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-3-21-5-4-14-25(21)15-17-6-8-18(9-7-17)22(27)24-20-12-10-19(11-13-20)23-16(2)26/h4-13,21H,3,14-15H2,1-2H3,(H,23,26)(H,24,27)/t21-/m0/s1.
What are the key properties of N-(4-acetamidophenyl)-4-[[(2S)-2-ethyl-2,5-dihydropyrrol-1-yl]methyl]benzamide?
N-(4-acetamidophenyl)-4-[[(2S)-2-ethyl-2,5-dihydropyrrol-1-yl]methyl]benzamide has a molecular weight of 363.46 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-[[(2S)-2-ethyl-2,5-dihydropyrrol-1-yl]methyl]benzamide is sourced from PubChem (CID 95144206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).