3-[[(3R)-1-[3-(2,3-dihydroindol-1-yl)propanoyl]pyrrolidin-3-yl]methyl]benzamide

C23H27N3O2 — CID 95709196

IUPAC3-[[(3R)-1-[3-(2,3-dihydroindol-1-yl)propanoyl]pyrrolidin-3-yl]methyl]benzamide
SMILESNC(=O)c1cccc(C[C@@H]2CCN(C(=O)CCN3CCc4ccccc43)C2)c1
InChIInChI=1S/C23H27N3O2/c24-23(28)20-6-3-4-17(15-20)14-18-8-11-26(16-18)22(27)10-13-25-12-9-19-5-1-2-7-21(19)25/h1-7,15,18H,8-14,16H2,(H2,24,28)/t18-/m0/s1
InChIKeyYAEUZTOEBJVVGK-SFHVURJKSA-N
MW377.49 g/mol
LogP2.63
Rot. Bonds6

About 3-[[(3R)-1-[3-(2,3-dihydroindol-1-yl)propanoyl]pyrrolidin-3-yl]methyl]benzamide

3-[[(3R)-1-[3-(2,3-dihydroindol-1-yl)propanoyl]pyrrolidin-3-yl]methyl]benzamide (PubChem CID 95709196) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-[[(3R)-1-[3-(2,3-dihydroindol-1-yl)propanoyl]pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[(3R)-1-[3-(2,3-dihydroindol-1-yl)propanoyl]pyrrolidin-3-yl]methyl]benzamide
PubChem CID95709196
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name3-[[(3R)-1-[3-(2,3-dihydroindol-1-yl)propanoyl]pyrrolidin-3-yl]methyl]benzamide
SMILESNC(=O)c1cccc(C[C@@H]2CCN(C(=O)CCN3CCc4ccccc43)C2)c1
InChIInChI=1S/C23H27N3O2/c24-23(28)20-6-3-4-17(15-20)14-18-8-11-26(16-18)22(27)10-13-25-12-9-19-5-1-2-7-21(19)25/h1-7,15,18H,8-14,16H2,(H2,24,28)/t18-/m0/s1
InChIKeyYAEUZTOEBJVVGK-SFHVURJKSA-N
XLogP2.63
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzylpiperidin-1-yl)-3-(2,3-dihydroindol-1-yl)propan-1-one
CID 109032481
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CID 95724298
3-[[1-[2-(benzotriazol-2-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide
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CID 95711699
3-[[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 97134086
3-[[(3R)-1-[2-[cyclopentyl(methyl)amino]acetyl]pyrrolidin-3-yl]methyl]benzamide
CID 95728061
3-[[(3R)-1-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]pyrrolidin-3-yl]methyl]benzamide
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3-[(1-butanoylpyrrolidin-3-yl)methyl]benzoic acid
CID 56904595
3-[[(3S)-1-(imidazo[1,2-a]pyridine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 95715110
3-[[(3S)-1-[2-(2,3-dimethylphenoxy)acetyl]pyrrolidin-3-yl]methyl]benzamide
CID 95729048
3-(1,3-dihydroisoindol-2-yl)-1-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]propan-1-one
CID 70717709

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-1-[3-(2,3-dihydroindol-1-yl)propanoyl]pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 3-[[(3R)-1-[3-(2,3-dihydroindol-1-yl)propanoyl]pyrrolidin-3-yl]methyl]benzamide (CID 95709196) is 3-[[(3R)-1-[3-(2,3-dihydroindol-1-yl)propanoyl]pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 3-[[(3R)-1-[3-(2,3-dihydroindol-1-yl)propanoyl]pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 3-[[(3R)-1-[3-(2,3-dihydroindol-1-yl)propanoyl]pyrrolidin-3-yl]methyl]benzamide is NC(=O)c1cccc(C[C@@H]2CCN(C(=O)CCN3CCc4ccccc43)C2)c1.
What is the InChIKey of 3-[[(3R)-1-[3-(2,3-dihydroindol-1-yl)propanoyl]pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is YAEUZTOEBJVVGK-SFHVURJKSA-N. The full InChI is InChI=1S/C23H27N3O2/c24-23(28)20-6-3-4-17(15-20)14-18-8-11-26(16-18)22(27)10-13-25-12-9-19-5-1-2-7-21(19)25/h1-7,15,18H,8-14,16H2,(H2,24,28)/t18-/m0/s1.
What are the key properties of 3-[[(3R)-1-[3-(2,3-dihydroindol-1-yl)propanoyl]pyrrolidin-3-yl]methyl]benzamide?
3-[[(3R)-1-[3-(2,3-dihydroindol-1-yl)propanoyl]pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 377.49 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-1-[3-(2,3-dihydroindol-1-yl)propanoyl]pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 95709196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).