4-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide

C20H23FN2O3 — CID 110302511

IUPAC4-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C20H23FN2O3/c21-16-7-5-15(6-8-16)18(24)9-10-20(25)22-14-17(19-4-3-13-26-19)23-11-1-2-12-23/h3-8,13,17H,1-2,9-12,14H2,(H,22,25)
InChIKeyDEFXXSKIBQEOKE-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.33
Rot. Bonds8

About 4-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide

4-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide (PubChem CID 110302511) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide
PubChem CID110302511
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name4-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C20H23FN2O3/c21-16-7-5-15(6-8-16)18(24)9-10-20(25)22-14-17(19-4-3-13-26-19)23-11-1-2-12-23/h3-8,13,17H,1-2,9-12,14H2,(H,22,25)
InChIKeyDEFXXSKIBQEOKE-UHFFFAOYSA-N
XLogP3.33
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
3-acetamido-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
CID 110353373
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 55204450
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 7780304
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110623858
2-(3-fluorophenyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide
CID 51162683
4-bromo-N-[3-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]benzamide
CID 26622015
4-(3-fluorophenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]butanamide
CID 55928920
N-[4-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-4-oxobutyl]benzamide
CID 46522317
2,4-difluoro-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 51336068

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide (CID 110302511) is 4-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide is O=C(CCC(=O)c1ccc(F)cc1)NCC(c1ccco1)N1CCCC1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide?
The InChIKey is DEFXXSKIBQEOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c21-16-7-5-15(6-8-16)18(24)9-10-20(25)22-14-17(19-4-3-13-26-19)23-11-1-2-12-23/h3-8,13,17H,1-2,9-12,14H2,(H,22,25).
What are the key properties of 4-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide?
4-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide has a molecular weight of 358.41 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide is sourced from PubChem (CID 110302511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).