(2S)-1-formyl-N-[2-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide

C19H20N2O3 — CID 89190532

IUPAC(2S)-1-formyl-N-[2-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1-c1ccccc1NC(=O)[C@@H]1CCCN1C=O
InChIInChI=1S/C19H20N2O3/c1-24-18-11-5-3-8-15(18)14-7-2-4-9-16(14)20-19(23)17-10-6-12-21(17)13-22/h2-5,7-9,11,13,17H,6,10,12H2,1H3,(H,20,23)/t17-/m0/s1
InChIKeyVJTNXJUSKNMRMY-KRWDZBQOSA-N
MW324.38 g/mol
LogP2.92
Rot. Bonds5

About (2S)-1-formyl-N-[2-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide

(2S)-1-formyl-N-[2-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 89190532) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2S)-1-formyl-N-[2-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-formyl-N-[2-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID89190532
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(2S)-1-formyl-N-[2-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1-c1ccccc1NC(=O)[C@@H]1CCCN1C=O
InChIInChI=1S/C19H20N2O3/c1-24-18-11-5-3-8-15(18)14-7-2-4-9-16(14)20-19(23)17-10-6-12-21(17)13-22/h2-5,7-9,11,13,17H,6,10,12H2,1H3,(H,20,23)/t17-/m0/s1
InChIKeyVJTNXJUSKNMRMY-KRWDZBQOSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl (2R)-2-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 800862
N-(1-bromoisoquinolin-4-yl)-1-formylpyrrolidine-2-carboxamide
CID 154765863
(2S)-1-N-cyclohexyl-2-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468739
(2R)-2-N-(2,4-dimethoxyphenyl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468706
N-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687358
N-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341707
1-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441726
2-N-(2,6-dimethylphenyl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219774
(2R)-2-N-(2,6-dimethylphenyl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468862
methyl 2-[(2-bromophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 110754602
N-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 91954705
2-hydroxy-N-(2-methoxyphenyl)cyclopentane-1-carboxamide
CID 110013580

Frequently Asked Questions

What is the IUPAC name of (2S)-1-formyl-N-[2-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-formyl-N-[2-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide (CID 89190532) is (2S)-1-formyl-N-[2-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-formyl-N-[2-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-formyl-N-[2-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide is COc1ccccc1-c1ccccc1NC(=O)[C@@H]1CCCN1C=O.
What is the InChIKey of (2S)-1-formyl-N-[2-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is VJTNXJUSKNMRMY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-24-18-11-5-3-8-15(18)14-7-2-4-9-16(14)20-19(23)17-10-6-12-21(17)13-22/h2-5,7-9,11,13,17H,6,10,12H2,1H3,(H,20,23)/t17-/m0/s1.
What are the key properties of (2S)-1-formyl-N-[2-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide?
(2S)-1-formyl-N-[2-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-formyl-N-[2-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 89190532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).