(2R,5R)-N-(1,3-benzodioxol-5-ylmethyl)-5-phenylpyrrolidine-2-carboxamide;hydrochloride

C19H21ClN2O3 — CID 154923238

IUPAC(2R,5R)-N-(1,3-benzodioxol-5-ylmethyl)-5-phenylpyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc2c(c1)OCO2)[C@H]1CC[C@H](c2ccccc2)N1
InChIInChI=1S/C19H20N2O3.ClH/c22-19(16-8-7-15(21-16)14-4-2-1-3-5-14)20-11-13-6-9-17-18(10-13)24-12-23-17;/h1-6,9-10,15-16,21H,7-8,11-12H2,(H,20,22);1H/t15-,16-;/m1./s1
InChIKeySPWYULMAACPVBW-QNBGGDODSA-N
MW360.84 g/mol
LogP2.95
Rot. Bonds4

About (2R,5R)-N-(1,3-benzodioxol-5-ylmethyl)-5-phenylpyrrolidine-2-carboxamide;hydrochloride

(2R,5R)-N-(1,3-benzodioxol-5-ylmethyl)-5-phenylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 154923238) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is (2R,5R)-N-(1,3-benzodioxol-5-ylmethyl)-5-phenylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,5R)-N-(1,3-benzodioxol-5-ylmethyl)-5-phenylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID154923238
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name(2R,5R)-N-(1,3-benzodioxol-5-ylmethyl)-5-phenylpyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc2c(c1)OCO2)[C@H]1CC[C@H](c2ccccc2)N1
InChIInChI=1S/C19H20N2O3.ClH/c22-19(16-8-7-15(21-16)14-4-2-1-3-5-14)20-11-13-6-9-17-18(10-13)24-12-23-17;/h1-6,9-10,15-16,21H,7-8,11-12H2,(H,20,22);1H/t15-,16-;/m1./s1
InChIKeySPWYULMAACPVBW-QNBGGDODSA-N
XLogP2.95
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2862795
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N-(1,3-benzodioxol-5-ylmethyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605911
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide
CID 52975622
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N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidine-2-carboxamide;hydrochloride
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N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
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N-(1,3-benzodioxol-5-ylmethyl)-5-(1-methylpyrrol-2-yl)pyrazolidine-3-carboxamide
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CID 108974741
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CID 62905779
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N-(1,3-benzodioxol-5-ylmethyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-N-(1,3-benzodioxol-5-ylmethyl)-5-phenylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R,5R)-N-(1,3-benzodioxol-5-ylmethyl)-5-phenylpyrrolidine-2-carboxamide;hydrochloride (CID 154923238) is (2R,5R)-N-(1,3-benzodioxol-5-ylmethyl)-5-phenylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R,5R)-N-(1,3-benzodioxol-5-ylmethyl)-5-phenylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R,5R)-N-(1,3-benzodioxol-5-ylmethyl)-5-phenylpyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCc1ccc2c(c1)OCO2)[C@H]1CC[C@H](c2ccccc2)N1.
What is the InChIKey of (2R,5R)-N-(1,3-benzodioxol-5-ylmethyl)-5-phenylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is SPWYULMAACPVBW-QNBGGDODSA-N. The full InChI is InChI=1S/C19H20N2O3.ClH/c22-19(16-8-7-15(21-16)14-4-2-1-3-5-14)20-11-13-6-9-17-18(10-13)24-12-23-17;/h1-6,9-10,15-16,21H,7-8,11-12H2,(H,20,22);1H/t15-,16-;/m1./s1.
What are the key properties of (2R,5R)-N-(1,3-benzodioxol-5-ylmethyl)-5-phenylpyrrolidine-2-carboxamide;hydrochloride?
(2R,5R)-N-(1,3-benzodioxol-5-ylmethyl)-5-phenylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 360.84 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-N-(1,3-benzodioxol-5-ylmethyl)-5-phenylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 154923238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).