N-(4-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanamide

C16H23FN2O2 — CID 111103086

IUPACN-(4-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanamide
SMILESO=C(CCN1CCCC1CCCO)Nc1ccc(F)cc1
InChIInChI=1S/C16H23FN2O2/c17-13-5-7-14(8-6-13)18-16(21)9-11-19-10-1-3-15(19)4-2-12-20/h5-8,15,20H,1-4,9-12H2,(H,18,21)
InChIKeyRMKBVJSFSIUPFC-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.39
Rot. Bonds7

About N-(4-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanamide

N-(4-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanamide (PubChem CID 111103086) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanamide
PubChem CID111103086
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-(4-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanamide
SMILESO=C(CCN1CCCC1CCCO)Nc1ccc(F)cc1
InChIInChI=1S/C16H23FN2O2/c17-13-5-7-14(8-6-13)18-16(21)9-11-19-10-1-3-15(19)4-2-12-20/h5-8,15,20H,1-4,9-12H2,(H,18,21)
InChIKeyRMKBVJSFSIUPFC-UHFFFAOYSA-N
XLogP2.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62467277
3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylpropanamide
CID 62468873
N-(3-fluorophenyl)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62736577
2-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 95347315
N-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 111462087
N-(2-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 61407328
N-(4-aminophenyl)-4-[2-(hydroxymethyl)pyrrolidin-1-yl]butanamide
CID 61407133
N-(2-amino-5-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62467691
N-(4-fluorophenyl)-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79546400
N-(3-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propanamide
CID 61406991
3-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]propan-1-ol
CID 111103021
N-(4-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928502

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-(4-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanamide (CID 111103086) is N-(4-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(4-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanamide is O=C(CCN1CCCC1CCCO)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanamide?
The InChIKey is RMKBVJSFSIUPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c17-13-5-7-14(8-6-13)18-16(21)9-11-19-10-1-3-15(19)4-2-12-20/h5-8,15,20H,1-4,9-12H2,(H,18,21).
What are the key properties of N-(4-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanamide?
N-(4-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanamide has a molecular weight of 294.37 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 111103086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).