(2R)-1-N-(3-acetylphenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide

C21H22FN3O3 — CID 1443384

IUPAC(2R)-1-N-(3-acetylphenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCC[C@@H]2C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C21H22FN3O3/c1-14(26)16-4-2-5-18(12-16)24-21(28)25-11-3-6-19(25)20(27)23-13-15-7-9-17(22)10-8-15/h2,4-5,7-10,12,19H,3,6,11,13H2,1H3,(H,23,27)(H,24,28)/t19-/m1/s1
InChIKeyQCDZZAIKFYXRHP-LJQANCHMSA-N
MW383.42 g/mol
LogP3.34
Rot. Bonds5

About (2R)-1-N-(3-acetylphenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide

(2R)-1-N-(3-acetylphenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 1443384) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is (2R)-1-N-(3-acetylphenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-1-N-(3-acetylphenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
PubChem CID1443384
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC Name(2R)-1-N-(3-acetylphenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCC[C@@H]2C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C21H22FN3O3/c1-14(26)16-4-2-5-18(12-16)24-21(28)25-11-3-6-19(25)20(27)23-13-15-7-9-17(22)10-8-15/h2,4-5,7-10,12,19H,3,6,11,13H2,1H3,(H,23,27)(H,24,28)/t19-/m1/s1
InChIKeyQCDZZAIKFYXRHP-LJQANCHMSA-N
XLogP3.34
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-N-(3-acetylphenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1443493
(2R)-1-N-(4-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468552
1-(3-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 46757142
4-N-(3-acetylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148460
(2S)-1-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468512
(2S)-1-N-(3-acetylphenyl)-2-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide
CID 1443364
1-N-(3-acetylphenyl)-2-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 651368
2-N-[(4-methoxyphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 43814318
(2S)-1-N-(3-acetylphenyl)-2-N-(2-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1443458
2-N-[(4-fluorophenyl)methyl]-1-N,1-N-dimethylpyrrolidine-1,2-dicarboxamide
CID 159386470
(2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1433453
(2S)-1-N-(3-acetylphenyl)-2-N-(2,4-dimethylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1443428

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-(3-acetylphenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-1-N-(3-acetylphenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide (CID 1443384) is (2R)-1-N-(3-acetylphenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-1-N-(3-acetylphenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-1-N-(3-acetylphenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide is CC(=O)c1cccc(NC(=O)N2CCC[C@@H]2C(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of (2R)-1-N-(3-acetylphenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is QCDZZAIKFYXRHP-LJQANCHMSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-14(26)16-4-2-5-18(12-16)24-21(28)25-11-3-6-19(25)20(27)23-13-15-7-9-17(22)10-8-15/h2,4-5,7-10,12,19H,3,6,11,13H2,1H3,(H,23,27)(H,24,28)/t19-/m1/s1.
What are the key properties of (2R)-1-N-(3-acetylphenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide?
(2R)-1-N-(3-acetylphenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 383.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-(3-acetylphenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 1443384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).