(2R)-1-N-(2,4-difluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide

C17H17F2N3O2S — CID 1443574

IUPAC(2R)-1-N-(2,4-difluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1cccs1)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H17F2N3O2S/c18-11-5-6-14(13(19)9-11)21-17(24)22-7-1-4-15(22)16(23)20-10-12-3-2-8-25-12/h2-3,5-6,8-9,15H,1,4,7,10H2,(H,20,23)(H,21,24)/t15-/m1/s1
InChIKeyPBCKTPMFXXRIHZ-OAHLLOKOSA-N
MW365.41 g/mol
LogP3.34
Rot. Bonds4

About (2R)-1-N-(2,4-difluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide

(2R)-1-N-(2,4-difluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 1443574) has the molecular formula C17H17F2N3O2S and a molecular weight of 365.41 g/mol. Its IUPAC name is (2R)-1-N-(2,4-difluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-1-N-(2,4-difluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
PubChem CID1443574
Molecular FormulaC17H17F2N3O2S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Name(2R)-1-N-(2,4-difluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1cccs1)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H17F2N3O2S/c18-11-5-6-14(13(19)9-11)21-17(24)22-7-1-4-15(22)16(23)20-10-12-3-2-8-25-12/h2-3,5-6,8-9,15H,1,4,7,10H2,(H,20,23)(H,21,24)/t15-/m1/s1
InChIKeyPBCKTPMFXXRIHZ-OAHLLOKOSA-N
XLogP3.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-N-(2-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1443009
(2R)-1-N-(4-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1468558
(2R)-1-N-(3-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1433469
(2R)-1-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1468489
(2R)-1-N-(2-fluoro-4-methylphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 95981801
methyl (2R)-1-[(2,4-difluorophenyl)carbamoyl]piperidine-2-carboxylate
CID 115536165
(2R)-N-(2,4-difluorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856636
tert-butyl (2S)-1-[(2,4-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylate
CID 75382009
[2-(2,4-difluoroanilino)-2-oxoethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 11907554
(2R)-1-N-(4-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468552
(2S)-N-[(4-ethylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 124721737
2-N-[(2-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 647975

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-(2,4-difluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-1-N-(2,4-difluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (CID 1443574) is (2R)-1-N-(2,4-difluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-1-N-(2,4-difluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-1-N-(2,4-difluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is O=C(NCc1cccs1)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of (2R)-1-N-(2,4-difluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is PBCKTPMFXXRIHZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17F2N3O2S/c18-11-5-6-14(13(19)9-11)21-17(24)22-7-1-4-15(22)16(23)20-10-12-3-2-8-25-12/h2-3,5-6,8-9,15H,1,4,7,10H2,(H,20,23)(H,21,24)/t15-/m1/s1.
What are the key properties of (2R)-1-N-(2,4-difluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
(2R)-1-N-(2,4-difluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-(2,4-difluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 1443574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).