4-(3-fluorophenyl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride

C17H26ClFN2O — CID 119533848

IUPAC4-(3-fluorophenyl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
SMILESCC(CCc1cccc(F)c1)C(=O)NCCC1CCNC1.Cl
InChIInChI=1S/C17H25FN2O.ClH/c1-13(5-6-14-3-2-4-16(18)11-14)17(21)20-10-8-15-7-9-19-12-15;/h2-4,11,13,15,19H,5-10,12H2,1H3,(H,20,21);1H
InChIKeySEUNWBYNNSFUOS-UHFFFAOYSA-N
MW328.86 g/mol
LogP2.93
Rot. Bonds7

About 4-(3-fluorophenyl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride

4-(3-fluorophenyl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride (PubChem CID 119533848) has the molecular formula C17H26ClFN2O and a molecular weight of 328.86 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
PubChem CID119533848
Molecular FormulaC17H26ClFN2O
Molecular Weight328.86 g/mol
Exact Mass328.17
IUPAC Name4-(3-fluorophenyl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
SMILESCC(CCc1cccc(F)c1)C(=O)NCCC1CCNC1.Cl
InChIInChI=1S/C17H25FN2O.ClH/c1-13(5-6-14-3-2-4-16(18)11-14)17(21)20-10-8-15-7-9-19-12-15;/h2-4,11,13,15,19H,5-10,12H2,1H3,(H,20,21);1H
InChIKeySEUNWBYNNSFUOS-UHFFFAOYSA-N
XLogP2.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.86
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628909
3-(3-fluorophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119452340
2-(3-fluorophenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119556344
N-(3-aminopropyl)-4-(3-fluorophenyl)-2-methylbutanamide
CID 119405222
4-(3-fluorophenyl)-3-methyl-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119556045
3-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119556662
2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119260587
N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-2-methylbutanamide
CID 120652249
2-(2-bromo-4-fluorophenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119535504
2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536472
2,5-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534638
3-(3-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119552777

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride?
The IUPAC name of 4-(3-fluorophenyl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride (CID 119533848) is 4-(3-fluorophenyl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride.
What is the SMILES notation for 4-(3-fluorophenyl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride?
The canonical SMILES for 4-(3-fluorophenyl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride is CC(CCc1cccc(F)c1)C(=O)NCCC1CCNC1.Cl.
What is the InChIKey of 4-(3-fluorophenyl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride?
The InChIKey is SEUNWBYNNSFUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O.ClH/c1-13(5-6-14-3-2-4-16(18)11-14)17(21)20-10-8-15-7-9-19-12-15;/h2-4,11,13,15,19H,5-10,12H2,1H3,(H,20,21);1H.
What are the key properties of 4-(3-fluorophenyl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride?
4-(3-fluorophenyl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride has a molecular weight of 328.86 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride is sourced from PubChem (CID 119533848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).