N-(3-acetylphenyl)-4-[(2-methylpyrrolidin-1-yl)methyl]benzamide

C21H24N2O2 — CID 50980549

IUPACN-(3-acetylphenyl)-4-[(2-methylpyrrolidin-1-yl)methyl]benzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(CN3CCCC3C)cc2)c1
InChIInChI=1S/C21H24N2O2/c1-15-5-4-12-23(15)14-17-8-10-18(11-9-17)21(25)22-20-7-3-6-19(13-20)16(2)24/h3,6-11,13,15H,4-5,12,14H2,1-2H3,(H,22,25)
InChIKeyUPIXDTFEOMDLPO-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.13
Rot. Bonds5

About N-(3-acetylphenyl)-4-[(2-methylpyrrolidin-1-yl)methyl]benzamide

N-(3-acetylphenyl)-4-[(2-methylpyrrolidin-1-yl)methyl]benzamide (PubChem CID 50980549) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-[(2-methylpyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-[(2-methylpyrrolidin-1-yl)methyl]benzamide
PubChem CID50980549
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-(3-acetylphenyl)-4-[(2-methylpyrrolidin-1-yl)methyl]benzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(CN3CCCC3C)cc2)c1
InChIInChI=1S/C21H24N2O2/c1-15-5-4-12-23(15)14-17-8-10-18(11-9-17)21(25)22-20-7-3-6-19(13-20)16(2)24/h3,6-11,13,15H,4-5,12,14H2,1-2H3,(H,22,25)
InChIKeyUPIXDTFEOMDLPO-UHFFFAOYSA-N
XLogP4.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methylpyrrolidin-1-yl)methyl]-N-(2-oxo-1,3-dihydroindol-5-yl)benzamide
CID 50983263
N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 92627414
3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
CID 53283593
N-(2,6-dimethylphenyl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzamide
CID 95131755
N-(3-acetylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9095769
methyl 4-[(2-methylpyrrolidin-1-yl)methyl]benzoate
CID 54882617
3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 55729046
3-chloro-N-[3-[6-[(2-methylpiperidin-1-yl)methyl]quinolin-2-yl]phenyl]benzamide
CID 147034759
3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 53281808
N-(3-acetylphenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43924465
N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55869873
4-[[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]carbamoyl]benzoic acid
CID 163266294

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-[(2-methylpyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(3-acetylphenyl)-4-[(2-methylpyrrolidin-1-yl)methyl]benzamide (CID 50980549) is N-(3-acetylphenyl)-4-[(2-methylpyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-[(2-methylpyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(3-acetylphenyl)-4-[(2-methylpyrrolidin-1-yl)methyl]benzamide is CC(=O)c1cccc(NC(=O)c2ccc(CN3CCCC3C)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-[(2-methylpyrrolidin-1-yl)methyl]benzamide?
The InChIKey is UPIXDTFEOMDLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15-5-4-12-23(15)14-17-8-10-18(11-9-17)21(25)22-20-7-3-6-19(13-20)16(2)24/h3,6-11,13,15H,4-5,12,14H2,1-2H3,(H,22,25).
What are the key properties of N-(3-acetylphenyl)-4-[(2-methylpyrrolidin-1-yl)methyl]benzamide?
N-(3-acetylphenyl)-4-[(2-methylpyrrolidin-1-yl)methyl]benzamide has a molecular weight of 336.44 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-[(2-methylpyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 50980549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).