(2S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methylpyrrolidine-2-carboxamide

C20H23FN2O2 — CID 152504880

IUPAC(2S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCC[C@H]1C(=O)NCc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C20H23FN2O2/c1-23-11-3-6-19(23)20(24)22-13-15-7-9-18(10-8-15)25-14-16-4-2-5-17(21)12-16/h2,4-5,7-10,12,19H,3,6,11,13-14H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyYEFZHSNVHKABHN-IBGZPJMESA-N
MW342.41 g/mol
LogP3.12
Rot. Bonds6

About (2S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methylpyrrolidine-2-carboxamide

(2S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methylpyrrolidine-2-carboxamide (PubChem CID 152504880) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is (2S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methylpyrrolidine-2-carboxamide
PubChem CID152504880
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name(2S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCC[C@H]1C(=O)NCc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C20H23FN2O2/c1-23-11-3-6-19(23)20(24)22-13-15-7-9-18(10-8-15)25-14-16-4-2-5-17(21)12-16/h2,4-5,7-10,12,19H,3,6,11,13-14H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyYEFZHSNVHKABHN-IBGZPJMESA-N
XLogP3.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 144650708
N-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide
CID 110851630
N-[[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-1-methylpyrrolidine-2-carboxamide
CID 167802487
(3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]oxolane-3-carboxamide
CID 95146364
(2S,4S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620915
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide
CID 37469359
(2R)-1-[(4-fluorophenyl)methyl]-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 95786833
(2S)-N-[(4-bromophenyl)methyl]-1-methylpyrrolidine-2-carboxamide
CID 146358139
1-methyl-N-[(3-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 146358334
(2S)-N-[[3-[(3,4-difluorophenyl)methoxy]phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 118413755
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[[4-[(3-fluorophenoxy)methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 118413690
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidine-3-carboxamide
CID 50874469

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methylpyrrolidine-2-carboxamide (CID 152504880) is (2S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methylpyrrolidine-2-carboxamide is CN1CCC[C@H]1C(=O)NCc1ccc(OCc2cccc(F)c2)cc1.
What is the InChIKey of (2S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methylpyrrolidine-2-carboxamide?
The InChIKey is YEFZHSNVHKABHN-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-23-11-3-6-19(23)20(24)22-13-15-7-9-18(10-8-15)25-14-16-4-2-5-17(21)12-16/h2,4-5,7-10,12,19H,3,6,11,13-14H2,1H3,(H,22,24)/t19-/m0/s1.
What are the key properties of (2S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methylpyrrolidine-2-carboxamide?
(2S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methylpyrrolidine-2-carboxamide has a molecular weight of 342.41 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 152504880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).