3-[[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methyl]-N-phenylbenzamide

C19H22N2O2 — CID 146143912

IUPAC3-[[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methyl]-N-phenylbenzamide
SMILESC[C@@H]1CN(Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@H]1O
InChIInChI=1S/C19H22N2O2/c1-14-11-21(13-18(14)22)12-15-6-5-7-16(10-15)19(23)20-17-8-3-2-4-9-17/h2-10,14,18,22H,11-13H2,1H3,(H,20,23)/t14-,18-/m1/s1
InChIKeyQWARFNYMDPRHQI-RDTXWAMCSA-N
MW310.40 g/mol
LogP2.75
Rot. Bonds4

About 3-[[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methyl]-N-phenylbenzamide

3-[[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methyl]-N-phenylbenzamide (PubChem CID 146143912) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-[[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methyl]-N-phenylbenzamide
PubChem CID146143912
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name3-[[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methyl]-N-phenylbenzamide
SMILESC[C@@H]1CN(Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@H]1O
InChIInChI=1S/C19H22N2O2/c1-14-11-21(13-18(14)22)12-15-6-5-7-16(10-15)19(23)20-17-8-3-2-4-9-17/h2-10,14,18,22H,11-13H2,1H3,(H,20,23)/t14-,18-/m1/s1
InChIKeyQWARFNYMDPRHQI-RDTXWAMCSA-N
XLogP2.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methyl]-N-phenylbenzamide
CID 146128757
3-[(4-benzoylpiperidin-1-yl)methyl]-N-phenylbenzamide
CID 60523650
3-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoic acid
CID 146134371
3-[[[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]amino]methyl]-N-methylbenzamide
CID 98873287
N-benzyl-3-[(1-benzyl-4-methylpyrrolidin-3-yl)carbamoylamino]benzamide
CID 166355412
N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 146121744
N-phenyl-3-(sulfanylmethyl)benzamide
CID 18007783
3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)benzamide;dihydrochloride
CID 119889790
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-(methylsulfonylmethyl)benzamide
CID 55778199
N-(4-acetamidophenyl)-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide
CID 43924269
3-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]benzoic acid
CID 40801162
3-[(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-phenylbenzamide
CID 78903832

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methyl]-N-phenylbenzamide?
The IUPAC name of 3-[[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methyl]-N-phenylbenzamide (CID 146143912) is 3-[[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methyl]-N-phenylbenzamide.
What is the SMILES notation for 3-[[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methyl]-N-phenylbenzamide?
The canonical SMILES for 3-[[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methyl]-N-phenylbenzamide is C[C@@H]1CN(Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@H]1O.
What is the InChIKey of 3-[[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methyl]-N-phenylbenzamide?
The InChIKey is QWARFNYMDPRHQI-RDTXWAMCSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-11-21(13-18(14)22)12-15-6-5-7-16(10-15)19(23)20-17-8-3-2-4-9-17/h2-10,14,18,22H,11-13H2,1H3,(H,20,23)/t14-,18-/m1/s1.
What are the key properties of 3-[[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methyl]-N-phenylbenzamide?
3-[[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methyl]-N-phenylbenzamide has a molecular weight of 310.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methyl]-N-phenylbenzamide is sourced from PubChem (CID 146143912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).