3-(4-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride

C14H20ClFN2O — CID 91660400

IUPAC3-(4-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride
SMILESCl.O=C(CCc1ccc(F)cc1)NCC1CCNC1
InChIInChI=1S/C14H19FN2O.ClH/c15-13-4-1-11(2-5-13)3-6-14(18)17-10-12-7-8-16-9-12;/h1-2,4-5,12,16H,3,6-10H2,(H,17,18);1H
InChIKeyHUARQMWOKGDUKJ-UHFFFAOYSA-N
MW286.78 g/mol
LogP1.91
Rot. Bonds5

About 3-(4-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride

3-(4-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride (PubChem CID 91660400) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride
PubChem CID91660400
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name3-(4-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride
SMILESCl.O=C(CCc1ccc(F)cc1)NCC1CCNC1
InChIInChI=1S/C14H19FN2O.ClH/c15-13-4-1-11(2-5-13)3-6-14(18)17-10-12-7-8-16-9-12;/h1-2,4-5,12,16H,3,6-10H2,(H,17,18);1H
InChIKeyHUARQMWOKGDUKJ-UHFFFAOYSA-N
XLogP1.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-3-[4-(piperidin-4-ylmethyl)phenyl]propanamide;hydrochloride
CID 146064790
3-(4-fluorophenyl)-N-[2-[(3S)-piperidin-3-yl]ethyl]propanamide
CID 99776078
3-(2-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide
CID 115271910
3-(3-methylphenyl)-N-(pyrrolidin-3-ylmethyl)propanamide
CID 80563288
2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119260587
3-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119534078
4-(4-fluorophenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462905
3-(4-methylphenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide
CID 119462114
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 86813740
3-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553300
2-fluoro-N-(pyrrolidin-3-ylmethyl)acetamide
CID 174605600
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)propanamide
CID 110719904

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride?
The IUPAC name of 3-(4-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride (CID 91660400) is 3-(4-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for 3-(4-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride is Cl.O=C(CCc1ccc(F)cc1)NCC1CCNC1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride?
The InChIKey is HUARQMWOKGDUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O.ClH/c15-13-4-1-11(2-5-13)3-6-14(18)17-10-12-7-8-16-9-12;/h1-2,4-5,12,16H,3,6-10H2,(H,17,18);1H.
What are the key properties of 3-(4-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride?
3-(4-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride has a molecular weight of 286.78 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 91660400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).