(2R)-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide;tert-butyl (2R)-2-[(2-benzoylphenyl)carbamoyl]pyrrolidine-1-carboxylate;diiodovanadium;triiodovanadium;hydrochloride

C41H45ClI5N4O6V2 — CID 158498244

IUPAC(2R)-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide;tert-butyl (2R)-2-[(2-benzoylphenyl)carbamoyl]pyrrolidine-1-carboxylate;diiodovanadium;triiodovanadium;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1C(=O)c1ccccc1.Cl.I[V](I)I.I[V]I.O=C(c1ccccc1)c1ccccc1NC(=O)[C@H]1CCCN1
InChIInChI=1S/C23H26N2O4.C18H18N2O2.ClH.5HI.2V/c1-23(2,3)29-22(28)25-15-9-14-19(25)21(27)24-18-13-8-7-12-17(18)20(26)16-10-5-4-6-11-16;21-17(13-7-2-1-3-8-13)14-9-4-5-10-15(14)20-18(22)16-11-6-12-19-16;;;;;;;;/h4-8,10-13,19H,9,14-15H2,1-3H3,(H,24,27);1-5,7-10,16,19H,6,11-12H2,(H,20,22);6*1H;;/q;;;;;;;;+2;+3/p-5/t19-;16-;;;;;;;;/m11......../s1
InChIKeyOLHLVBLGPWLDLR-VOPAUMIMSA-I
MW1461.69 g/mol
LogP11.71
Rot. Bonds8

About (2R)-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide;tert-butyl (2R)-2-[(2-benzoylphenyl)carbamoyl]pyrrolidine-1-carboxylate;diiodovanadium;triiodovanadium;hydrochloride

(2R)-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide;tert-butyl (2R)-2-[(2-benzoylphenyl)carbamoyl]pyrrolidine-1-carboxylate;diiodovanadium;triiodovanadium;hydrochloride (PubChem CID 158498244) has the molecular formula C41H45ClI5N4O6V2 and a molecular weight of 1461.69 g/mol. Its IUPAC name is (2R)-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide;tert-butyl (2R)-2-[(2-benzoylphenyl)carbamoyl]pyrrolidine-1-carboxylate;diiodovanadium;triiodovanadium;hydrochloride.

Molecular Properties

Compound Name(2R)-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide;tert-butyl (2R)-2-[(2-benzoylphenyl)carbamoyl]pyrrolidine-1-carboxylate;diiodovanadium;triiodovanadium;hydrochloride
PubChem CID158498244
Molecular FormulaC41H45ClI5N4O6V2
Molecular Weight1461.69 g/mol
Exact Mass1460.71
IUPAC Name(2R)-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide;tert-butyl (2R)-2-[(2-benzoylphenyl)carbamoyl]pyrrolidine-1-carboxylate;diiodovanadium;triiodovanadium;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1C(=O)c1ccccc1.Cl.I[V](I)I.I[V]I.O=C(c1ccccc1)c1ccccc1NC(=O)[C@H]1CCCN1
InChIInChI=1S/C23H26N2O4.C18H18N2O2.ClH.5HI.2V/c1-23(2,3)29-22(28)25-15-9-14-19(25)21(27)24-18-13-8-7-12-17(18)20(26)16-10-5-4-6-11-16;21-17(13-7-2-1-3-8-13)14-9-4-5-10-15(14)20-18(22)16-11-6-12-19-16;;;;;;;;/h4-8,10-13,19H,9,14-15H2,1-3H3,(H,24,27);1-5,7-10,16,19H,6,11-12H2,(H,20,22);6*1H;;/q;;;;;;;;+2;+3/p-5/t19-;16-;;;;;;;;/m11......../s1
InChIKeyOLHLVBLGPWLDLR-VOPAUMIMSA-I
XLogP11.71
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001461.69
LogP ≤ 511.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2S)-2-[[2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)carbamoyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 102192631
N-(2-benzoylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 614237
tert-butyl 2-[(2,3-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 3136691
tert-butyl (2R)-2-(phenylcarbamoyl)piperidine-1-carboxylate
CID 52774591
tert-butyl (2S)-2-[(4-phenoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 70174711
tert-butyl 2-[(2,4-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 2876304
tert-butyl 2-[(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 122639592
tert-butyl (2R)-2-[[4-(2-phenylethynyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 143190861
tert-butyl (2S)-2-[(4-phenyldiazenylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 11101307
tert-butyl (2S)-2-[(2,6-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 797692
4-[4-(4-carboxyphenyl)-3-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]phenyl]benzoic acid
CID 132962116
tert-butyl (2S)-2-(quinolin-8-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 69444585

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide;tert-butyl (2R)-2-[(2-benzoylphenyl)carbamoyl]pyrrolidine-1-carboxylate;diiodovanadium;triiodovanadium;hydrochloride?
The IUPAC name of (2R)-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide;tert-butyl (2R)-2-[(2-benzoylphenyl)carbamoyl]pyrrolidine-1-carboxylate;diiodovanadium;triiodovanadium;hydrochloride (CID 158498244) is (2R)-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide;tert-butyl (2R)-2-[(2-benzoylphenyl)carbamoyl]pyrrolidine-1-carboxylate;diiodovanadium;triiodovanadium;hydrochloride.
What is the SMILES notation for (2R)-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide;tert-butyl (2R)-2-[(2-benzoylphenyl)carbamoyl]pyrrolidine-1-carboxylate;diiodovanadium;triiodovanadium;hydrochloride?
The canonical SMILES for (2R)-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide;tert-butyl (2R)-2-[(2-benzoylphenyl)carbamoyl]pyrrolidine-1-carboxylate;diiodovanadium;triiodovanadium;hydrochloride is CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1C(=O)c1ccccc1.Cl.I[V](I)I.I[V]I.O=C(c1ccccc1)c1ccccc1NC(=O)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide;tert-butyl (2R)-2-[(2-benzoylphenyl)carbamoyl]pyrrolidine-1-carboxylate;diiodovanadium;triiodovanadium;hydrochloride?
The InChIKey is OLHLVBLGPWLDLR-VOPAUMIMSA-I. The full InChI is InChI=1S/C23H26N2O4.C18H18N2O2.ClH.5HI.2V/c1-23(2,3)29-22(28)25-15-9-14-19(25)21(27)24-18-13-8-7-12-17(18)20(26)16-10-5-4-6-11-16;21-17(13-7-2-1-3-8-13)14-9-4-5-10-15(14)20-18(22)16-11-6-12-19-16;;;;;;;;/h4-8,10-13,19H,9,14-15H2,1-3H3,(H,24,27);1-5,7-10,16,19H,6,11-12H2,(H,20,22);6*1H;;/q;;;;;;;;+2;+3/p-5/t19-;16-;;;;;;;;/m11......../s1.
What are the key properties of (2R)-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide;tert-butyl (2R)-2-[(2-benzoylphenyl)carbamoyl]pyrrolidine-1-carboxylate;diiodovanadium;triiodovanadium;hydrochloride?
(2R)-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide;tert-butyl (2R)-2-[(2-benzoylphenyl)carbamoyl]pyrrolidine-1-carboxylate;diiodovanadium;triiodovanadium;hydrochloride has a molecular weight of 1461.69 g/mol, XLogP of 11.71, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide;tert-butyl (2R)-2-[(2-benzoylphenyl)carbamoyl]pyrrolidine-1-carboxylate;diiodovanadium;triiodovanadium;hydrochloride is sourced from PubChem (CID 158498244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).