(4-nitro-3,5-diphenylpyrrolidin-2-yl)-phenylmethanone

C23H20N2O3 — CID 164666937

IUPAC(4-nitro-3,5-diphenylpyrrolidin-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)C1NC(c2ccccc2)C([N+](=O)[O-])C1c1ccccc1
InChIInChI=1S/C23H20N2O3/c26-23(18-14-8-3-9-15-18)21-19(16-10-4-1-5-11-16)22(25(27)28)20(24-21)17-12-6-2-7-13-17/h1-15,19-22,24H
InChIKeyHUSSIZOBLGXNPP-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.01
Rot. Bonds5

About (4-nitro-3,5-diphenylpyrrolidin-2-yl)-phenylmethanone

(4-nitro-3,5-diphenylpyrrolidin-2-yl)-phenylmethanone (PubChem CID 164666937) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is (4-nitro-3,5-diphenylpyrrolidin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-nitro-3,5-diphenylpyrrolidin-2-yl)-phenylmethanone
PubChem CID164666937
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name(4-nitro-3,5-diphenylpyrrolidin-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)C1NC(c2ccccc2)C([N+](=O)[O-])C1c1ccccc1
InChIInChI=1S/C23H20N2O3/c26-23(18-14-8-3-9-15-18)21-19(16-10-4-1-5-11-16)22(25(27)28)20(24-21)17-12-6-2-7-13-17/h1-15,19-22,24H
InChIKeyHUSSIZOBLGXNPP-UHFFFAOYSA-N
XLogP4.01
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,3S,4R,5S)-4-nitro-3,5-diphenylpyrrolidine-2-carboxylic acid
CID 132564270
tert-butyl (2R,3S,4S,5R)-4-nitro-3,5-diphenylpyrrolidine-2-carboxylate
CID 135027204
methyl (2S,3R,4S,5R)-3-(3-chlorophenyl)-4-nitro-5-phenylpyrrolidine-2-carboxylate
CID 102053252
methyl (2S,3S,4R,5S)-3-(3-bromophenyl)-4-nitro-5-phenylpyrrolidine-2-carboxylate
CID 132515210
[(2R,3S)-3-(2-nitrophenyl)aziridin-2-yl]-phenylmethanone
CID 21231311
[(2R,3S)-3-(4-nitrophenyl)aziridin-2-yl]-(4-phenylphenyl)methanone
CID 23266933
methyl (2S,3R,4S,5R)-4-nitro-3-pentyl-5-phenylpyrrolidine-2-carboxylate
CID 134943790
(4-nitrophenyl)-[(2S,3R)-3-(4-nitrophenyl)aziridin-2-yl]methanone
CID 12650827
methyl (2R,3R,4S,5S)-3-(4-methoxyphenyl)-5-(4-methylphenyl)-4-nitropyrrolidine-2-carboxylate
CID 102319428
[(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone
CID 13111202
[(1S,2S,3S,10bR)-1-nitro-2-phenyl-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl]-phenylmethanone
CID 124779055
[(1R,2S,3S,10bR)-1-nitro-2-phenyl-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl]-phenylmethanone
CID 7005666

Frequently Asked Questions

What is the IUPAC name of (4-nitro-3,5-diphenylpyrrolidin-2-yl)-phenylmethanone?
The IUPAC name of (4-nitro-3,5-diphenylpyrrolidin-2-yl)-phenylmethanone (CID 164666937) is (4-nitro-3,5-diphenylpyrrolidin-2-yl)-phenylmethanone.
What is the SMILES notation for (4-nitro-3,5-diphenylpyrrolidin-2-yl)-phenylmethanone?
The canonical SMILES for (4-nitro-3,5-diphenylpyrrolidin-2-yl)-phenylmethanone is O=C(c1ccccc1)C1NC(c2ccccc2)C([N+](=O)[O-])C1c1ccccc1.
What is the InChIKey of (4-nitro-3,5-diphenylpyrrolidin-2-yl)-phenylmethanone?
The InChIKey is HUSSIZOBLGXNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c26-23(18-14-8-3-9-15-18)21-19(16-10-4-1-5-11-16)22(25(27)28)20(24-21)17-12-6-2-7-13-17/h1-15,19-22,24H.
What are the key properties of (4-nitro-3,5-diphenylpyrrolidin-2-yl)-phenylmethanone?
(4-nitro-3,5-diphenylpyrrolidin-2-yl)-phenylmethanone has a molecular weight of 372.42 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitro-3,5-diphenylpyrrolidin-2-yl)-phenylmethanone is sourced from PubChem (CID 164666937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).