N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide

C16H24FN3O — CID 91922778

IUPACN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide
SMILESCN(C)C[C@@H]1CN(C)C[C@H]1NC(=O)Cc1cccc(F)c1
InChIInChI=1S/C16H24FN3O/c1-19(2)9-13-10-20(3)11-15(13)18-16(21)8-12-5-4-6-14(17)7-12/h4-7,13,15H,8-11H2,1-3H3,(H,18,21)/t13-,15-/m1/s1
InChIKeyMIWKBPNYGRUGRL-UKRRQHHQSA-N
MW293.39 g/mol
LogP0.98
Rot. Bonds5

About N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide (PubChem CID 91922778) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide
PubChem CID91922778
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide
SMILESCN(C)C[C@@H]1CN(C)C[C@H]1NC(=O)Cc1cccc(F)c1
InChIInChI=1S/C16H24FN3O/c1-19(2)9-13-10-20(3)11-15(13)18-16(21)8-12-5-4-6-14(17)7-12/h4-7,13,15H,8-11H2,1-3H3,(H,18,21)/t13-,15-/m1/s1
InChIKeyMIWKBPNYGRUGRL-UKRRQHHQSA-N
XLogP0.98
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide (CID 91922778) is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide is CN(C)C[C@@H]1CN(C)C[C@H]1NC(=O)Cc1cccc(F)c1.
What is the InChIKey of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide?
The InChIKey is MIWKBPNYGRUGRL-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-19(2)9-13-10-20(3)11-15(13)18-16(21)8-12-5-4-6-14(17)7-12/h4-7,13,15H,8-11H2,1-3H3,(H,18,21)/t13-,15-/m1/s1.
What are the key properties of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide?
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide has a molecular weight of 293.39 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 91922778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).