(2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide

C20H22FN3O3 — CID 1468858

IUPAC(2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1ccccc1NC(=O)N1CCC[C@H]1C(=O)NCc1ccccc1F
InChIInChI=1S/C20H22FN3O3/c1-27-18-11-5-4-9-16(18)23-20(26)24-12-6-10-17(24)19(25)22-13-14-7-2-3-8-15(14)21/h2-5,7-9,11,17H,6,10,12-13H2,1H3,(H,22,25)(H,23,26)/t17-/m0/s1
InChIKeyGANCFWCPTWMKFA-KRWDZBQOSA-N
MW371.41 g/mol
LogP3.15
Rot. Bonds5

About (2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide

(2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 1468858) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is (2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID1468858
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name(2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1ccccc1NC(=O)N1CCC[C@H]1C(=O)NCc1ccccc1F
InChIInChI=1S/C20H22FN3O3/c1-27-18-11-5-4-9-16(18)23-20(26)24-12-6-10-17(24)19(25)22-13-14-7-2-3-8-15(14)21/h2-5,7-9,11,17H,6,10,12-13H2,1H3,(H,22,25)(H,23,26)/t17-/m0/s1
InChIKeyGANCFWCPTWMKFA-KRWDZBQOSA-N
XLogP3.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(2-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 647975
methyl 2-[(2-fluorophenyl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 110754462
(2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1433453
(2S)-2-N-(1,3-benzodioxol-5-ylmethyl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468684
2-N-(2,6-dimethylphenyl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219774
(2R)-2-N-(2,4-dimethoxyphenyl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468706
(2R)-2-N-(2,6-dimethylphenyl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468862
1-N-(2-methoxyphenyl)-2-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219712
(2R)-1-N-(2-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1443009
(2R)-1-[(2-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78923027
(2S)-1-N-cyclohexyl-2-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468739
2-N-(1,3-benzodioxol-5-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 646276

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (CID 1468858) is (2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is COc1ccccc1NC(=O)N1CCC[C@H]1C(=O)NCc1ccccc1F.
What is the InChIKey of (2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is GANCFWCPTWMKFA-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-27-18-11-5-4-9-16(18)23-20(26)24-12-6-10-17(24)19(25)22-13-14-7-2-3-8-15(14)21/h2-5,7-9,11,17H,6,10,12-13H2,1H3,(H,22,25)(H,23,26)/t17-/m0/s1.
What are the key properties of (2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
(2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 371.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 1468858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).