5-(2-fluorophenyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]furan-2-carboxamide

C26H28FN3O3 — CID 51133026

IUPAC5-(2-fluorophenyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]furan-2-carboxamide
SMILESCCCC(NC(=O)c1ccc(-c2ccccc2F)o1)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C26H28FN3O3/c1-2-8-22(25(31)28-18-9-7-10-19(17-18)30-15-5-6-16-30)29-26(32)24-14-13-23(33-24)20-11-3-4-12-21(20)27/h3-4,7,9-14,17,22H,2,5-6,8,15-16H2,1H3,(H,28,31)(H,29,32)
InChIKeyNIRXETWBRUKCHW-UHFFFAOYSA-N
MW449.53 g/mol
LogP5.22
Rot. Bonds8

About 5-(2-fluorophenyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]furan-2-carboxamide

5-(2-fluorophenyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]furan-2-carboxamide (PubChem CID 51133026) has the molecular formula C26H28FN3O3 and a molecular weight of 449.53 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]furan-2-carboxamide
PubChem CID51133026
Molecular FormulaC26H28FN3O3
Molecular Weight449.53 g/mol
Exact Mass449.21
IUPAC Name5-(2-fluorophenyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]furan-2-carboxamide
SMILESCCCC(NC(=O)c1ccc(-c2ccccc2F)o1)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C26H28FN3O3/c1-2-8-22(25(31)28-18-9-7-10-19(17-18)30-15-5-6-16-30)29-26(32)24-14-13-23(33-24)20-11-3-4-12-21(20)27/h3-4,7,9-14,17,22H,2,5-6,8,15-16H2,1H3,(H,28,31)(H,29,32)
InChIKeyNIRXETWBRUKCHW-UHFFFAOYSA-N
XLogP5.22
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.53
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide;dihydrochloride
CID 119872864
6-fluoro-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-1H-benzimidazole-4-carboxamide
CID 52526858
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]benzamide
CID 167844025
N-(3-pyrrolidin-1-ylphenyl)-2-(1H-pyrrol-3-ylmethylamino)pentanamide
CID 71857290
2-[[2-(methylamino)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 120704211
2-[3-(3-fluorophenyl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 60622642
N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 52525487
2-[(2-pyrrolidin-2-ylacetyl)amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 119872875
N-[3-oxo-3-[[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]amino]propyl]cyclohexanecarboxamide
CID 86878307
4-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 80542782
2-oxo-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]-6-phenyl-1H-pyridine-3-carboxamide
CID 60622370
6-chloro-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]pyridine-3-carboxamide
CID 60622282

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]furan-2-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]furan-2-carboxamide (CID 51133026) is 5-(2-fluorophenyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]furan-2-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]furan-2-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]furan-2-carboxamide is CCCC(NC(=O)c1ccc(-c2ccccc2F)o1)C(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of 5-(2-fluorophenyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]furan-2-carboxamide?
The InChIKey is NIRXETWBRUKCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O3/c1-2-8-22(25(31)28-18-9-7-10-19(17-18)30-15-5-6-16-30)29-26(32)24-14-13-23(33-24)20-11-3-4-12-21(20)27/h3-4,7,9-14,17,22H,2,5-6,8,15-16H2,1H3,(H,28,31)(H,29,32).
What are the key properties of 5-(2-fluorophenyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]furan-2-carboxamide?
5-(2-fluorophenyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]furan-2-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 5.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 51133026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).