(2R)-2-N-(4-acetamidophenyl)-1-N-(4-fluoro-3-nitrophenyl)pyrrolidine-1,2-dicarboxamide

C20H20FN5O5 — CID 1443606

IUPAC(2R)-2-N-(4-acetamidophenyl)-1-N-(4-fluoro-3-nitrophenyl)pyrrolidine-1,2-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C20H20FN5O5/c1-12(27)22-13-4-6-14(7-5-13)23-19(28)17-3-2-10-25(17)20(29)24-15-8-9-16(21)18(11-15)26(30)31/h4-9,11,17H,2-3,10H2,1H3,(H,22,27)(H,23,28)(H,24,29)/t17-/m1/s1
InChIKeyUKFNLQKVAPSNCR-QGZVFWFLSA-N
MW429.41 g/mol
LogP3.33
Rot. Bonds5

About (2R)-2-N-(4-acetamidophenyl)-1-N-(4-fluoro-3-nitrophenyl)pyrrolidine-1,2-dicarboxamide

(2R)-2-N-(4-acetamidophenyl)-1-N-(4-fluoro-3-nitrophenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 1443606) has the molecular formula C20H20FN5O5 and a molecular weight of 429.41 g/mol. Its IUPAC name is (2R)-2-N-(4-acetamidophenyl)-1-N-(4-fluoro-3-nitrophenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-2-N-(4-acetamidophenyl)-1-N-(4-fluoro-3-nitrophenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID1443606
Molecular FormulaC20H20FN5O5
Molecular Weight429.41 g/mol
Exact Mass429.14
IUPAC Name(2R)-2-N-(4-acetamidophenyl)-1-N-(4-fluoro-3-nitrophenyl)pyrrolidine-1,2-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C20H20FN5O5/c1-12(27)22-13-4-6-14(7-5-13)23-19(28)17-3-2-10-25(17)20(29)24-15-8-9-16(21)18(11-15)26(30)31/h4-9,11,17H,2-3,10H2,1H3,(H,22,27)(H,23,28)(H,24,29)/t17-/m1/s1
InChIKeyUKFNLQKVAPSNCR-QGZVFWFLSA-N
XLogP3.33
TPSA133.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N-tert-butyl-1-N-(4-fluoro-3-nitrophenyl)pyrrolidine-1,2-dicarboxamide
CID 3230357
N-(4-fluoro-3-nitrophenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51240550
(2R)-2-N-(4-acetamidophenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468944
(2S)-2-N-(3-acetamidophenyl)-1-N-(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1468971
4-N-(4-fluoro-3-nitrophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 7478520
(2R)-2-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1442935
(2R)-2-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1445811
2-N-(4-acetamidophenyl)-1-N-(4-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3230278
(2R)-1-N-(4-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1445832
2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 43814809
1-[(3,4-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61185440
(2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1443127

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-(4-acetamidophenyl)-1-N-(4-fluoro-3-nitrophenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-2-N-(4-acetamidophenyl)-1-N-(4-fluoro-3-nitrophenyl)pyrrolidine-1,2-dicarboxamide (CID 1443606) is (2R)-2-N-(4-acetamidophenyl)-1-N-(4-fluoro-3-nitrophenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-2-N-(4-acetamidophenyl)-1-N-(4-fluoro-3-nitrophenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-2-N-(4-acetamidophenyl)-1-N-(4-fluoro-3-nitrophenyl)pyrrolidine-1,2-dicarboxamide is CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of (2R)-2-N-(4-acetamidophenyl)-1-N-(4-fluoro-3-nitrophenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is UKFNLQKVAPSNCR-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20FN5O5/c1-12(27)22-13-4-6-14(7-5-13)23-19(28)17-3-2-10-25(17)20(29)24-15-8-9-16(21)18(11-15)26(30)31/h4-9,11,17H,2-3,10H2,1H3,(H,22,27)(H,23,28)(H,24,29)/t17-/m1/s1.
What are the key properties of (2R)-2-N-(4-acetamidophenyl)-1-N-(4-fluoro-3-nitrophenyl)pyrrolidine-1,2-dicarboxamide?
(2R)-2-N-(4-acetamidophenyl)-1-N-(4-fluoro-3-nitrophenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 429.41 g/mol, XLogP of 3.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-(4-acetamidophenyl)-1-N-(4-fluoro-3-nitrophenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 1443606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).