(2S)-2-[(4-fluorophenoxy)methyl]-N,N-dimethylpyrrolidine-1-carboxamide

C14H19FN2O2 — CID 138053708

IUPAC(2S)-2-[(4-fluorophenoxy)methyl]-N,N-dimethylpyrrolidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC[C@H]1COc1ccc(F)cc1
InChIInChI=1S/C14H19FN2O2/c1-16(2)14(18)17-9-3-4-12(17)10-19-13-7-5-11(15)6-8-13/h5-8,12H,3-4,9-10H2,1-2H3/t12-/m0/s1
InChIKeyDBVWMNBVQUMHPR-LBPRGKRZSA-N
MW266.32 g/mol
LogP2.35
Rot. Bonds3

About (2S)-2-[(4-fluorophenoxy)methyl]-N,N-dimethylpyrrolidine-1-carboxamide

(2S)-2-[(4-fluorophenoxy)methyl]-N,N-dimethylpyrrolidine-1-carboxamide (PubChem CID 138053708) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is (2S)-2-[(4-fluorophenoxy)methyl]-N,N-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-[(4-fluorophenoxy)methyl]-N,N-dimethylpyrrolidine-1-carboxamide
PubChem CID138053708
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name(2S)-2-[(4-fluorophenoxy)methyl]-N,N-dimethylpyrrolidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC[C@H]1COc1ccc(F)cc1
InChIInChI=1S/C14H19FN2O2/c1-16(2)14(18)17-9-3-4-12(17)10-19-13-7-5-11(15)6-8-13/h5-8,12H,3-4,9-10H2,1-2H3/t12-/m0/s1
InChIKeyDBVWMNBVQUMHPR-LBPRGKRZSA-N
XLogP2.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[[1-(4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 50846223
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 119630849
2-[4-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidine-1-carbonyl]triazol-1-yl]acetic acid
CID 166303122
(2S)-2-(ethoxymethyl)-N-[2-(4-fluorophenoxy)ethyl]pyrrolidine-1-carboxamide
CID 126429890
1-[2-(phenoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 142036385
4-(4-fluorophenoxy)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 66261072
tert-butyl 2-[[4-(trifluoromethoxy)phenoxy]methyl]pyrrolidine-1-carboxylate
CID 23081208
4-[(1-propanoylpyrrolidin-2-yl)methoxy]-N-propan-2-ylbenzamide
CID 50846264
2-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 136586050
tert-butyl 2-[[4-[4-(trifluoromethyl)phenoxy]phenoxy]methyl]pyrrolidine-1-carboxylate
CID 69001590
methyl 2-[1-[3-(4-fluorophenoxy)propanoyl]piperidin-2-yl]acetate
CID 60520937
tert-butyl (2R)-2-[[4-[4-(trifluoromethyl)phenoxy]phenoxy]methyl]pyrrolidine-1-carboxylate
CID 69001586

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-fluorophenoxy)methyl]-N,N-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-[(4-fluorophenoxy)methyl]-N,N-dimethylpyrrolidine-1-carboxamide (CID 138053708) is (2S)-2-[(4-fluorophenoxy)methyl]-N,N-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-[(4-fluorophenoxy)methyl]-N,N-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-[(4-fluorophenoxy)methyl]-N,N-dimethylpyrrolidine-1-carboxamide is CN(C)C(=O)N1CCC[C@H]1COc1ccc(F)cc1.
What is the InChIKey of (2S)-2-[(4-fluorophenoxy)methyl]-N,N-dimethylpyrrolidine-1-carboxamide?
The InChIKey is DBVWMNBVQUMHPR-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-16(2)14(18)17-9-3-4-12(17)10-19-13-7-5-11(15)6-8-13/h5-8,12H,3-4,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-2-[(4-fluorophenoxy)methyl]-N,N-dimethylpyrrolidine-1-carboxamide?
(2S)-2-[(4-fluorophenoxy)methyl]-N,N-dimethylpyrrolidine-1-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-fluorophenoxy)methyl]-N,N-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 138053708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).