(3-anilinopyrrolidin-1-yl)-(5-benzyl-2-hydroxyphenyl)methanone

C24H24N2O2 — CID 56504216

IUPAC(3-anilinopyrrolidin-1-yl)-(5-benzyl-2-hydroxyphenyl)methanone
SMILESO=C(c1cc(Cc2ccccc2)ccc1O)N1CCC(Nc2ccccc2)C1
InChIInChI=1S/C24H24N2O2/c27-23-12-11-19(15-18-7-3-1-4-8-18)16-22(23)24(28)26-14-13-21(17-26)25-20-9-5-2-6-10-20/h1-12,16,21,25,27H,13-15,17H2
InChIKeyWKEDRUNLSSKZIV-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.31
Rot. Bonds5

About (3-anilinopyrrolidin-1-yl)-(5-benzyl-2-hydroxyphenyl)methanone

(3-anilinopyrrolidin-1-yl)-(5-benzyl-2-hydroxyphenyl)methanone (PubChem CID 56504216) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (3-anilinopyrrolidin-1-yl)-(5-benzyl-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(3-anilinopyrrolidin-1-yl)-(5-benzyl-2-hydroxyphenyl)methanone
PubChem CID56504216
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name(3-anilinopyrrolidin-1-yl)-(5-benzyl-2-hydroxyphenyl)methanone
SMILESO=C(c1cc(Cc2ccccc2)ccc1O)N1CCC(Nc2ccccc2)C1
InChIInChI=1S/C24H24N2O2/c27-23-12-11-19(15-18-7-3-1-4-8-18)16-22(23)24(28)26-14-13-21(17-26)25-20-9-5-2-6-10-20/h1-12,16,21,25,27H,13-15,17H2
InChIKeyWKEDRUNLSSKZIV-UHFFFAOYSA-N
XLogP4.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-benzyl-2-hydroxybenzoyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 51132718
benzyl (3R)-3-anilinopyrrolidine-1-carboxylate
CID 171854263
(3-anilinopyrrolidin-1-yl)-[4-(benzenesulfonylmethyl)phenyl]methanone
CID 56502676
(3-anilinopyrrolidin-1-yl)-cyclopropylmethanone
CID 134813424
(5-benzyl-2-hydroxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 95350597
[(3S)-3-anilinopiperidin-1-yl]-(2,4,5-trimethylphenyl)methanone
CID 95713283
(3-anilinopyrrolidin-1-yl)-(4-bromo-1-methylpyrrol-2-yl)methanone
CID 71994895
(3-anilinopiperidin-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 45192484
3-[2-(3-anilinopyrrolidin-1-yl)-2-oxoethyl]benzonitrile
CID 167982038
3-(3-anilinopyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 154798042
(4-benzylpiperidin-1-yl)-(2,5-dihydroxyphenyl)methanone
CID 166451739
(2,5-dihydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 107721207

Frequently Asked Questions

What is the IUPAC name of (3-anilinopyrrolidin-1-yl)-(5-benzyl-2-hydroxyphenyl)methanone?
The IUPAC name of (3-anilinopyrrolidin-1-yl)-(5-benzyl-2-hydroxyphenyl)methanone (CID 56504216) is (3-anilinopyrrolidin-1-yl)-(5-benzyl-2-hydroxyphenyl)methanone.
What is the SMILES notation for (3-anilinopyrrolidin-1-yl)-(5-benzyl-2-hydroxyphenyl)methanone?
The canonical SMILES for (3-anilinopyrrolidin-1-yl)-(5-benzyl-2-hydroxyphenyl)methanone is O=C(c1cc(Cc2ccccc2)ccc1O)N1CCC(Nc2ccccc2)C1.
What is the InChIKey of (3-anilinopyrrolidin-1-yl)-(5-benzyl-2-hydroxyphenyl)methanone?
The InChIKey is WKEDRUNLSSKZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c27-23-12-11-19(15-18-7-3-1-4-8-18)16-22(23)24(28)26-14-13-21(17-26)25-20-9-5-2-6-10-20/h1-12,16,21,25,27H,13-15,17H2.
What are the key properties of (3-anilinopyrrolidin-1-yl)-(5-benzyl-2-hydroxyphenyl)methanone?
(3-anilinopyrrolidin-1-yl)-(5-benzyl-2-hydroxyphenyl)methanone has a molecular weight of 372.47 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-anilinopyrrolidin-1-yl)-(5-benzyl-2-hydroxyphenyl)methanone is sourced from PubChem (CID 56504216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).