N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide

C14H19FN2O — CID 63138507

IUPACN-[(4-fluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)C1(C)CCNC1
InChIInChI=1S/C14H19FN2O/c1-14(7-8-16-10-14)13(18)17(2)9-11-3-5-12(15)6-4-11/h3-6,16H,7-10H2,1-2H3
InChIKeyFETCNAKNXJJOAR-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.78
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide

N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 63138507) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID63138507
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-[(4-fluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)C1(C)CCNC1
InChIInChI=1S/C14H19FN2O/c1-14(7-8-16-10-14)13(18)17(2)9-11-3-5-12(15)6-4-11/h3-6,16H,7-10H2,1-2H3
InChIKeyFETCNAKNXJJOAR-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide;hydrochloride
CID 119702993
N,4-dimethyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 63121399
N-[(4-ethylphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride
CID 119943770
N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63143386
N,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 63131135
N-[(3-bromophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63143655
N-[(4-fluorophenyl)methyl]-N-methyl-4-propylpiperidine-4-carboxamide
CID 63128063
(4-fluorophenyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116569947
1-amino-N-[(4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119268138
N-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide
CID 115182311
N-[(4-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918675
N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63140447

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide (CID 63138507) is N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide is CN(Cc1ccc(F)cc1)C(=O)C1(C)CCNC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is FETCNAKNXJJOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-14(7-8-16-10-14)13(18)17(2)9-11-3-5-12(15)6-4-11/h3-6,16H,7-10H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63138507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).