(2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide

C19H20N2O3 — CID 28828173

IUPAC(2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
SMILESCOc1cccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2)c1
InChIInChI=1S/C19H20N2O3/c1-24-16-10-5-7-14(13-16)19(23)21-12-6-11-17(21)18(22)20-15-8-3-2-4-9-15/h2-5,7-10,13,17H,6,11-12H2,1H3,(H,20,22)/t17-/m1/s1
InChIKeyNLJMVRDXBXQTKA-QGZVFWFLSA-N
MW324.38 g/mol
LogP2.94
Rot. Bonds4

About (2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide

(2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide (PubChem CID 28828173) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
PubChem CID28828173
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
SMILESCOc1cccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2)c1
InChIInChI=1S/C19H20N2O3/c1-24-16-10-5-7-14(13-16)19(23)21-12-6-11-17(21)18(22)20-15-8-3-2-4-9-15/h2-5,7-10,13,17H,6,11-12H2,1H3,(H,20,22)/t17-/m1/s1
InChIKeyNLJMVRDXBXQTKA-QGZVFWFLSA-N
XLogP2.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide (CID 28828173) is (2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide is COc1cccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2)c1.
What is the InChIKey of (2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide?
The InChIKey is NLJMVRDXBXQTKA-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-24-16-10-5-7-14(13-16)19(23)21-12-6-11-17(21)18(22)20-15-8-3-2-4-9-15/h2-5,7-10,13,17H,6,11-12H2,1H3,(H,20,22)/t17-/m1/s1.
What are the key properties of (2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide?
(2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 28828173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).