N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]butanamide

C17H23FN2O2 — CID 71784586

IUPACN-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]butanamide
SMILESCCCC(=O)NCC(Cc1cccc(F)c1)N1CCCC1=O
InChIInChI=1S/C17H23FN2O2/c1-2-5-16(21)19-12-15(20-9-4-8-17(20)22)11-13-6-3-7-14(18)10-13/h3,6-7,10,15H,2,4-5,8-9,11-12H2,1H3,(H,19,21)
InChIKeyAOGAJTCYEKKUCZ-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.28
Rot. Bonds7

About N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]butanamide

N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]butanamide (PubChem CID 71784586) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]butanamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]butanamide
PubChem CID71784586
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC NameN-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]butanamide
SMILESCCCC(=O)NCC(Cc1cccc(F)c1)N1CCCC1=O
InChIInChI=1S/C17H23FN2O2/c1-2-5-16(21)19-12-15(20-9-4-8-17(20)22)11-13-6-3-7-14(18)10-13/h3,6-7,10,15H,2,4-5,8-9,11-12H2,1H3,(H,19,21)
InChIKeyAOGAJTCYEKKUCZ-UHFFFAOYSA-N
XLogP2.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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BN-201
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Rolicyprine
CID 60196287
(2S)-1-{2-[(2-phenylethyl)amino]acetyl}pyrrolidine-2-carbonitrile
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Smac peptido-mimetic 6h
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Smac peptido-mimetic 1
CID 11200722

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]butanamide?
The IUPAC name of N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]butanamide (CID 71784586) is N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]butanamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]butanamide?
The canonical SMILES for N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]butanamide is CCCC(=O)NCC(Cc1cccc(F)c1)N1CCCC1=O.
What is the InChIKey of N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]butanamide?
The InChIKey is AOGAJTCYEKKUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-2-5-16(21)19-12-15(20-9-4-8-17(20)22)11-13-6-3-7-14(18)10-13/h3,6-7,10,15H,2,4-5,8-9,11-12H2,1H3,(H,19,21).
What are the key properties of N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]butanamide?
N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]butanamide has a molecular weight of 306.38 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]butanamide is sourced from PubChem (CID 71784586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).