3-(3-fluoro-4-methoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide

C15H21FN2O3 — CID 120943968

IUPAC3-(3-fluoro-4-methoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCC2CNCC2O)cc1F
InChIInChI=1S/C15H21FN2O3/c1-21-14-4-2-10(6-12(14)16)3-5-15(20)18-8-11-7-17-9-13(11)19/h2,4,6,11,13,17,19H,3,5,7-9H2,1H3,(H,18,20)
InChIKeyHUENBUFWWFDHJA-UHFFFAOYSA-N
MW296.34 g/mol
LogP0.46
Rot. Bonds6

About 3-(3-fluoro-4-methoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide

3-(3-fluoro-4-methoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide (PubChem CID 120943968) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
PubChem CID120943968
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCC2CNCC2O)cc1F
InChIInChI=1S/C15H21FN2O3/c1-21-14-4-2-10(6-12(14)16)3-5-15(20)18-8-11-7-17-9-13(11)19/h2,4,6,11,13,17,19H,3,5,7-9H2,1H3,(H,18,20)
InChIKeyHUENBUFWWFDHJA-UHFFFAOYSA-N
XLogP0.46
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methoxybenzamide;hydrochloride
CID 120944009
3-(4-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120948869
N-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119405460
3-[3-(3-fluoro-4-methoxyphenyl)propanoylamino]-2,2-dimethylpropanoic acid
CID 119249807
3-(3-fluoro-4-methoxyphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430182
3-(3-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]propanamide
CID 120829586
4-[3-(3-fluoro-4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229751
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 120944783
N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51275994
3-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)propanamide
CID 119464205
4-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]butanamide;hydrochloride
CID 119318463
3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 134003498

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide (CID 120943968) is 3-(3-fluoro-4-methoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide is COc1ccc(CCC(=O)NCC2CNCC2O)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide?
The InChIKey is HUENBUFWWFDHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-21-14-4-2-10(6-12(14)16)3-5-15(20)18-8-11-7-17-9-13(11)19/h2,4,6,11,13,17,19H,3,5,7-9H2,1H3,(H,18,20).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide?
3-(3-fluoro-4-methoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide has a molecular weight of 296.34 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 120943968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).