(2S,4S)-4-amino-N-[(2-fluorophenyl)methyl]-1-methyl-N-propylpyrrolidine-2-carboxamide

C16H24FN3O — CID 56712792

IUPAC(2S,4S)-4-amino-N-[(2-fluorophenyl)methyl]-1-methyl-N-propylpyrrolidine-2-carboxamide
SMILESCCCN(Cc1ccccc1F)C(=O)[C@@H]1C[C@H](N)CN1C
InChIInChI=1S/C16H24FN3O/c1-3-8-20(10-12-6-4-5-7-14(12)17)16(21)15-9-13(18)11-19(15)2/h4-7,13,15H,3,8-11,18H2,1-2H3/t13-,15-/m0/s1
InChIKeyPEEATACNJUBSPO-ZFWWWQNUSA-N
MW293.39 g/mol
LogP1.60
Rot. Bonds5

About (2S,4S)-4-amino-N-[(2-fluorophenyl)methyl]-1-methyl-N-propylpyrrolidine-2-carboxamide

(2S,4S)-4-amino-N-[(2-fluorophenyl)methyl]-1-methyl-N-propylpyrrolidine-2-carboxamide (PubChem CID 56712792) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is (2S,4S)-4-amino-N-[(2-fluorophenyl)methyl]-1-methyl-N-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N-[(2-fluorophenyl)methyl]-1-methyl-N-propylpyrrolidine-2-carboxamide
PubChem CID56712792
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name(2S,4S)-4-amino-N-[(2-fluorophenyl)methyl]-1-methyl-N-propylpyrrolidine-2-carboxamide
SMILESCCCN(Cc1ccccc1F)C(=O)[C@@H]1C[C@H](N)CN1C
InChIInChI=1S/C16H24FN3O/c1-3-8-20(10-12-6-4-5-7-14(12)17)16(21)15-9-13(18)11-19(15)2/h4-7,13,15H,3,8-11,18H2,1-2H3/t13-,15-/m0/s1
InChIKeyPEEATACNJUBSPO-ZFWWWQNUSA-N
XLogP1.60
TPSA49.57 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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-1-methylazepane-2-carboxamide
CID 50980685
(2S)-N-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-1-methylazepane-2-carboxamide
CID 95144039
2-chloro-N-[(2-fluorophenyl)methyl]-N-propylacetamide
CID 39347931
N-[(2-fluorophenyl)methyl]-N,4-dimethylpiperazine-2-carboxamide
CID 115178036
N-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide
CID 134079935
N-butyl-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 119316064
N-[(2-aminophenyl)methyl]-N-propylcyclopentanecarboxamide
CID 43459851
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 90649232
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide
CID 113150955
(2S,4S)-N-[(4-cyanophenyl)methyl]-4-methoxy-1-methyl-N-propylpyrrolidine-2-carboxamide
CID 128978454
cis-(1S,3R)-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 91774938
2-(3-aminopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 119917364

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-N-[(2-fluorophenyl)methyl]-1-methyl-N-propylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N-[(2-fluorophenyl)methyl]-1-methyl-N-propylpyrrolidine-2-carboxamide (CID 56712792) is (2S,4S)-4-amino-N-[(2-fluorophenyl)methyl]-1-methyl-N-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N-[(2-fluorophenyl)methyl]-1-methyl-N-propylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N-[(2-fluorophenyl)methyl]-1-methyl-N-propylpyrrolidine-2-carboxamide is CCCN(Cc1ccccc1F)C(=O)[C@@H]1C[C@H](N)CN1C.
What is the InChIKey of (2S,4S)-4-amino-N-[(2-fluorophenyl)methyl]-1-methyl-N-propylpyrrolidine-2-carboxamide?
The InChIKey is PEEATACNJUBSPO-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-3-8-20(10-12-6-4-5-7-14(12)17)16(21)15-9-13(18)11-19(15)2/h4-7,13,15H,3,8-11,18H2,1-2H3/t13-,15-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N-[(2-fluorophenyl)methyl]-1-methyl-N-propylpyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N-[(2-fluorophenyl)methyl]-1-methyl-N-propylpyrrolidine-2-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-N-[(2-fluorophenyl)methyl]-1-methyl-N-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56712792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).