ethane;(2S)-1-[2-(4-fluoroanilino)acetyl]pyrrolidine-2-carboxamide;molecular hydrogen

C15H26FN3O2 — CID 143897546

IUPACethane;(2S)-1-[2-(4-fluoroanilino)acetyl]pyrrolidine-2-carboxamide;molecular hydrogen
SMILESCC.NC(=O)[C@@H]1CCCN1C(=O)CNc1ccc(F)cc1.[H][H].[H][H]
InChIInChI=1S/C13H16FN3O2.C2H6.2H2/c14-9-3-5-10(6-4-9)16-8-12(18)17-7-1-2-11(17)13(15)19;1-2;;/h3-6,11,16H,1-2,7-8H2,(H2,15,19);1-2H3;2*1H/t11-;;;/m0.../s1
InChIKeyCMQJCPYVUDKEFW-XVSRHIFFSA-N
MW299.39 g/mol
LogP2.23
Rot. Bonds4

About ethane;(2S)-1-[2-(4-fluoroanilino)acetyl]pyrrolidine-2-carboxamide;molecular hydrogen

ethane;(2S)-1-[2-(4-fluoroanilino)acetyl]pyrrolidine-2-carboxamide;molecular hydrogen (PubChem CID 143897546) has the molecular formula C15H26FN3O2 and a molecular weight of 299.39 g/mol. Its IUPAC name is ethane;(2S)-1-[2-(4-fluoroanilino)acetyl]pyrrolidine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;(2S)-1-[2-(4-fluoroanilino)acetyl]pyrrolidine-2-carboxamide;molecular hydrogen
PubChem CID143897546
Molecular FormulaC15H26FN3O2
Molecular Weight299.39 g/mol
Exact Mass299.20
IUPAC Nameethane;(2S)-1-[2-(4-fluoroanilino)acetyl]pyrrolidine-2-carboxamide;molecular hydrogen
SMILESCC.NC(=O)[C@@H]1CCCN1C(=O)CNc1ccc(F)cc1.[H][H].[H][H]
InChIInChI=1S/C13H16FN3O2.C2H6.2H2/c14-9-3-5-10(6-4-9)16-8-12(18)17-7-1-2-11(17)13(15)19;1-2;;/h3-6,11,16H,1-2,7-8H2,(H2,15,19);1-2H3;2*1H/t11-;;;/m0.../s1
InChIKeyCMQJCPYVUDKEFW-XVSRHIFFSA-N
XLogP2.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-anilinoacetyl)pyrrolidine-2-carboxamide
CID 60860590
(2S)-1-[2-[4-(trifluoromethyl)anilino]acetyl]pyrrolidine-2-carboxamide
CID 143897244
1-(2-anilinoacetyl)piperidine-2-carboxamide
CID 54940061
1-[3-[(4-fluorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxamide
CID 75592631
(2S)-1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]acetyl]pyrrolidine-2-carboxamide;ethane;molecular hydrogen
CID 143897962
(2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen
CID 142833543
(2S)-1-[2-(carbamothioylamino)acetyl]pyrrolidine-2-carboxamide;ethane
CID 143879715
(2R)-1-[4-(4-nitroanilino)butanoyl]pyrrolidine-2-carboxamide
CID 95339539
N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-1-[2-(4-fluoroanilino)acetyl]pyrrolidine-2-carboxamide
CID 90735769
(2S)-1-(2-bromoacetyl)pyrrolidine-2-carboxamide
CID 11042691
(2R)-1-propanoylpyrrolidine-2-carboxamide
CID 92979578
(2S)-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide
CID 143684092

Frequently Asked Questions

What is the IUPAC name of ethane;(2S)-1-[2-(4-fluoroanilino)acetyl]pyrrolidine-2-carboxamide;molecular hydrogen?
The IUPAC name of ethane;(2S)-1-[2-(4-fluoroanilino)acetyl]pyrrolidine-2-carboxamide;molecular hydrogen (CID 143897546) is ethane;(2S)-1-[2-(4-fluoroanilino)acetyl]pyrrolidine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for ethane;(2S)-1-[2-(4-fluoroanilino)acetyl]pyrrolidine-2-carboxamide;molecular hydrogen?
The canonical SMILES for ethane;(2S)-1-[2-(4-fluoroanilino)acetyl]pyrrolidine-2-carboxamide;molecular hydrogen is CC.NC(=O)[C@@H]1CCCN1C(=O)CNc1ccc(F)cc1.[H][H].[H][H].
What is the InChIKey of ethane;(2S)-1-[2-(4-fluoroanilino)acetyl]pyrrolidine-2-carboxamide;molecular hydrogen?
The InChIKey is CMQJCPYVUDKEFW-XVSRHIFFSA-N. The full InChI is InChI=1S/C13H16FN3O2.C2H6.2H2/c14-9-3-5-10(6-4-9)16-8-12(18)17-7-1-2-11(17)13(15)19;1-2;;/h3-6,11,16H,1-2,7-8H2,(H2,15,19);1-2H3;2*1H/t11-;;;/m0.../s1.
What are the key properties of ethane;(2S)-1-[2-(4-fluoroanilino)acetyl]pyrrolidine-2-carboxamide;molecular hydrogen?
ethane;(2S)-1-[2-(4-fluoroanilino)acetyl]pyrrolidine-2-carboxamide;molecular hydrogen has a molecular weight of 299.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2S)-1-[2-(4-fluoroanilino)acetyl]pyrrolidine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 143897546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).