(2R)-1-N-(2-fluoro-4-methylphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide

C18H20FN3O3 — CID 95981801

IUPAC(2R)-1-N-(2-fluoro-4-methylphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)c(F)c1
InChIInChI=1S/C18H20FN3O3/c1-12-6-7-15(14(19)10-12)21-18(24)22-8-2-5-16(22)17(23)20-11-13-4-3-9-25-13/h3-4,6-7,9-10,16H,2,5,8,11H2,1H3,(H,20,23)(H,21,24)/t16-/m1/s1
InChIKeyGECDFWQJMBKVIY-MRXNPFEDSA-N
MW345.37 g/mol
LogP3.04
Rot. Bonds4

About (2R)-1-N-(2-fluoro-4-methylphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide

(2R)-1-N-(2-fluoro-4-methylphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 95981801) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is (2R)-1-N-(2-fluoro-4-methylphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-1-N-(2-fluoro-4-methylphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
PubChem CID95981801
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name(2R)-1-N-(2-fluoro-4-methylphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)c(F)c1
InChIInChI=1S/C18H20FN3O3/c1-12-6-7-15(14(19)10-12)21-18(24)22-8-2-5-16(22)17(23)20-11-13-4-3-9-25-13/h3-4,6-7,9-10,16H,2,5,8,11H2,1H3,(H,20,23)(H,21,24)/t16-/m1/s1
InChIKeyGECDFWQJMBKVIY-MRXNPFEDSA-N
XLogP3.04
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2,4-dimethylbenzoyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95292121
(2S)-1-N-(4-chlorophenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1468967
ethyl 4-[[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]amino]-1H-pyrrole-2-carboxylate
CID 71852377
tert-butyl 2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carboxylate
CID 51147296
(2R)-1-N-(2,4-difluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1443574
(2R)-2-N-(furan-2-ylmethyl)-1-N-(6-methoxy-3-pyridinyl)pyrrolidine-1,2-dicarboxamide
CID 95980236
(2R)-N-(furan-2-ylmethyl)-1-[2-(2-methylphenyl)acetyl]pyrrolidine-2-carboxamide
CID 95148543
(2R)-1-[2-(3-fluorophenyl)acetyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95282764
(2S)-N-(2-fluoro-4-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104556
4-[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120672807
(2R)-1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 94826679
(2R)-1-N-(2-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1443009

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-(2-fluoro-4-methylphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-1-N-(2-fluoro-4-methylphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (CID 95981801) is (2R)-1-N-(2-fluoro-4-methylphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-1-N-(2-fluoro-4-methylphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-1-N-(2-fluoro-4-methylphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)c(F)c1.
What is the InChIKey of (2R)-1-N-(2-fluoro-4-methylphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is GECDFWQJMBKVIY-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-12-6-7-15(14(19)10-12)21-18(24)22-8-2-5-16(22)17(23)20-11-13-4-3-9-25-13/h3-4,6-7,9-10,16H,2,5,8,11H2,1H3,(H,20,23)(H,21,24)/t16-/m1/s1.
What are the key properties of (2R)-1-N-(2-fluoro-4-methylphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
(2R)-1-N-(2-fluoro-4-methylphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 345.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-(2-fluoro-4-methylphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 95981801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).