5-[[[2-fluoro-5-(2-oxopyrrolidin-1-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid

C19H19FN2O5 — CID 119222562

IUPAC5-[[[2-fluoro-5-(2-oxopyrrolidin-1-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)c2cc(N3CCCC3=O)ccc2F)cc1C(=O)O
InChIInChI=1S/C19H19FN2O5/c1-11-14(19(25)26)9-13(27-11)10-21(2)18(24)15-8-12(5-6-16(15)20)22-7-3-4-17(22)23/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,25,26)
InChIKeyCWFDWBUGUDSYCO-UHFFFAOYSA-N
MW374.37 g/mol
LogP2.82
Rot. Bonds5

About 5-[[[2-fluoro-5-(2-oxopyrrolidin-1-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid

5-[[[2-fluoro-5-(2-oxopyrrolidin-1-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 119222562) has the molecular formula C19H19FN2O5 and a molecular weight of 374.37 g/mol. Its IUPAC name is 5-[[[2-fluoro-5-(2-oxopyrrolidin-1-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-fluoro-5-(2-oxopyrrolidin-1-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID119222562
Molecular FormulaC19H19FN2O5
Molecular Weight374.37 g/mol
Exact Mass374.13
IUPAC Name5-[[[2-fluoro-5-(2-oxopyrrolidin-1-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)c2cc(N3CCCC3=O)ccc2F)cc1C(=O)O
InChIInChI=1S/C19H19FN2O5/c1-11-14(19(25)26)9-13(27-11)10-21(2)18(24)15-8-12(5-6-16(15)20)22-7-3-4-17(22)23/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,25,26)
InChIKeyCWFDWBUGUDSYCO-UHFFFAOYSA-N
XLogP2.82
TPSA91.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[[2-fluoro-5-(2-oxopyrrolidin-1-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid with MolForge

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Related Compounds

2-methyl-5-[[methyl-[3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]amino]methyl]furan-3-carboxylic acid
CID 126796017
2-methyl-5-[[methyl-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]methyl]furan-3-carboxylic acid
CID 119222801
5-[[(4-fluoro-3-methoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 120522880
2-methyl-5-[[methyl-(1-methyl-2-oxopyridine-3-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 120522914
2-methyl-5-[[methyl-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 125150129
5-[[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119221801
2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylic acid
CID 75383714
4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]methyl]benzoic acid
CID 119226008
1-[3-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-4-fluorophenyl]pyrrolidin-2-one
CID 96513226
2-methyl-5-[(2-oxopyrrolidin-1-yl)methyl]furan-3-carboxylic acid
CID 43477289
5-[[[4-fluoro-3-(2-methoxyethoxymethyl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222839
5-[(2,6-dioxopiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid
CID 43477336

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-fluoro-5-(2-oxopyrrolidin-1-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[[2-fluoro-5-(2-oxopyrrolidin-1-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid (CID 119222562) is 5-[[[2-fluoro-5-(2-oxopyrrolidin-1-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[[2-fluoro-5-(2-oxopyrrolidin-1-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[[2-fluoro-5-(2-oxopyrrolidin-1-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CN(C)C(=O)c2cc(N3CCCC3=O)ccc2F)cc1C(=O)O.
What is the InChIKey of 5-[[[2-fluoro-5-(2-oxopyrrolidin-1-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is CWFDWBUGUDSYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O5/c1-11-14(19(25)26)9-13(27-11)10-21(2)18(24)15-8-12(5-6-16(15)20)22-7-3-4-17(22)23/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,25,26).
What are the key properties of 5-[[[2-fluoro-5-(2-oxopyrrolidin-1-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[[2-fluoro-5-(2-oxopyrrolidin-1-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 374.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-fluoro-5-(2-oxopyrrolidin-1-yl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 119222562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).