N-[(4-fluorophenyl)methyl]-3-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]propanamide

C16H23FN2O2 — CID 72873784

IUPACN-[(4-fluorophenyl)methyl]-3-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]propanamide
SMILESC[C@@H]1CN(CCC(=O)NCc2ccc(F)cc2)C[C@]1(C)O
InChIInChI=1S/C16H23FN2O2/c1-12-10-19(11-16(12,2)21)8-7-15(20)18-9-13-3-5-14(17)6-4-13/h3-6,12,21H,7-11H2,1-2H3,(H,18,20)/t12-,16+/m1/s1
InChIKeyJXBNWJAGSHBNHJ-WBMJQRKESA-N
MW294.37 g/mol
LogP1.53
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-3-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]propanamide

N-[(4-fluorophenyl)methyl]-3-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]propanamide (PubChem CID 72873784) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]propanamide
PubChem CID72873784
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]propanamide
SMILESC[C@@H]1CN(CCC(=O)NCc2ccc(F)cc2)C[C@]1(C)O
InChIInChI=1S/C16H23FN2O2/c1-12-10-19(11-16(12,2)21)8-7-15(20)18-9-13-3-5-14(17)6-4-13/h3-6,12,21H,7-11H2,1-2H3,(H,18,20)/t12-,16+/m1/s1
InChIKeyJXBNWJAGSHBNHJ-WBMJQRKESA-N
XLogP1.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3239373
3-acetamido-N-[(4-fluorophenyl)methyl]propanamide
CID 2105511
N-(4-fluorobenzyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 3239601
1-cyclohexyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4246129
1-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 54733174
1-cyclopentyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 16333760
(3S)-N-[(3,5-difluorophenyl)methyl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 118884327
N-(4-fluorobenzyl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3240092
N-[(3,5-difluorophenyl)methyl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 118884346
N-cyclohexyl-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109594
N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109595
N,1-bis[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109622

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]propanamide (CID 72873784) is N-[(4-fluorophenyl)methyl]-3-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]propanamide is C[C@@H]1CN(CCC(=O)NCc2ccc(F)cc2)C[C@]1(C)O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]propanamide?
The InChIKey is JXBNWJAGSHBNHJ-WBMJQRKESA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-12-10-19(11-16(12,2)21)8-7-15(20)18-9-13-3-5-14(17)6-4-13/h3-6,12,21H,7-11H2,1-2H3,(H,18,20)/t12-,16+/m1/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]propanamide?
N-[(4-fluorophenyl)methyl]-3-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]propanamide has a molecular weight of 294.37 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]propanamide is sourced from PubChem (CID 72873784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).