(2-anilinophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C18H20N2O2 — CID 54043507

IUPAC(2-anilinophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccccc1Nc1ccccc1)N1CCC[C@H]1CO
InChIInChI=1S/C18H20N2O2/c21-13-15-9-6-12-20(15)18(22)16-10-4-5-11-17(16)19-14-7-2-1-3-8-14/h1-5,7-8,10-11,15,19,21H,6,9,12-13H2/t15-/m0/s1
InChIKeyLNZBYLOUIGIXBC-HNNXBMFYSA-N
MW296.37 g/mol
LogP3.03
Rot. Bonds4

About (2-anilinophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

(2-anilinophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 54043507) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (2-anilinophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-anilinophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID54043507
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(2-anilinophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccccc1Nc1ccccc1)N1CCC[C@H]1CO
InChIInChI=1S/C18H20N2O2/c21-13-15-9-6-12-20(15)18(22)16-10-4-5-11-17(16)19-14-7-2-1-3-8-14/h1-5,7-8,10-11,15,19,21H,6,9,12-13H2/t15-/m0/s1
InChIKeyLNZBYLOUIGIXBC-HNNXBMFYSA-N
XLogP3.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(hydroxymethyl)azepan-1-yl]-[2-(propan-2-ylamino)phenyl]methanone
CID 116635542
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-iodophenyl)methanone
CID 66261712
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 14622137
[2-(dimethylamino)phenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 110473297
methyl 2-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]benzoate
CID 156874403
(2-anilinophenyl)-(azepan-1-yl)methanone
CID 25352843
2-[2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]anilino]-N-[(4-methylphenyl)methyl]acetamide
CID 136524722
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 79027798
(3-chloro-2-methylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107097816
3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 66262185
(2-ethylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636551
(2-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421165

Frequently Asked Questions

What is the IUPAC name of (2-anilinophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-anilinophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 54043507) is (2-anilinophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-anilinophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-anilinophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is O=C(c1ccccc1Nc1ccccc1)N1CCC[C@H]1CO.
What is the InChIKey of (2-anilinophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is LNZBYLOUIGIXBC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-13-15-9-6-12-20(15)18(22)16-10-4-5-11-17(16)19-14-7-2-1-3-8-14/h1-5,7-8,10-11,15,19,21H,6,9,12-13H2/t15-/m0/s1.
What are the key properties of (2-anilinophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(2-anilinophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 296.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilinophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 54043507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).