(2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide

C20H22FN3O3 — CID 1433453

IUPAC(2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1cccc(NC(=O)N2CCC[C@H]2C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C20H22FN3O3/c1-27-16-8-4-7-15(12-16)23-20(26)24-11-5-10-18(24)19(25)22-13-14-6-2-3-9-17(14)21/h2-4,6-9,12,18H,5,10-11,13H2,1H3,(H,22,25)(H,23,26)/t18-/m0/s1
InChIKeyGQPOOEFGYKHZHI-SFHVURJKSA-N
MW371.41 g/mol
LogP3.15
Rot. Bonds5

About (2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide

(2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 1433453) 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-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID1433453
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name(2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1cccc(NC(=O)N2CCC[C@H]2C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C20H22FN3O3/c1-27-16-8-4-7-15(12-16)23-20(26)24-11-5-10-18(24)19(25)22-13-14-6-2-3-9-17(14)21/h2-4,6-9,12,18H,5,10-11,13H2,1H3,(H,22,25)(H,23,26)/t18-/m0/s1
InChIKeyGQPOOEFGYKHZHI-SFHVURJKSA-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
(2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468858
(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886
(2R)-2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 51552699
2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 24792717
1-N-(3-methoxyphenyl)-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide
CID 646616
1-N-(3-methoxyphenyl)-2-N-prop-2-enylpyrrolidine-1,2-dicarboxamide
CID 4998458
(2R)-1-N-(3-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1433469
(2R)-2-N-(4-fluorophenyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468879
(2R)-1-N-(3-methoxyphenyl)-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide
CID 1433427
methyl 2-[(2-fluorophenyl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 110754462
(2R)-1-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1,2-dicarboxamide
CID 7420605

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (CID 1433453) is (2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is COc1cccc(NC(=O)N2CCC[C@H]2C(=O)NCc2ccccc2F)c1.
What is the InChIKey of (2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is GQPOOEFGYKHZHI-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-27-16-8-4-7-15(12-16)23-20(26)24-11-5-10-18(24)19(25)22-13-14-6-2-3-9-17(14)21/h2-4,6-9,12,18H,5,10-11,13H2,1H3,(H,22,25)(H,23,26)/t18-/m0/s1.
What are the key properties of (2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
(2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(3-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-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 1433453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).