(2S,4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide

C13H16ClFN2O — CID 130322552

IUPAC(2S,4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide
SMILESC[C@H]1CN[C@H](C(=O)NCc2cccc(Cl)c2F)C1
InChIInChI=1S/C13H16ClFN2O/c1-8-5-11(16-6-8)13(18)17-7-9-3-2-4-10(14)12(9)15/h2-4,8,11,16H,5-7H2,1H3,(H,17,18)/t8-,11+/m1/s1
InChIKeyWZXJTBLFUHTOPJ-KCJUWKMLSA-N
MW270.73 g/mol
LogP2.09
Rot. Bonds3

About (2S,4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide

(2S,4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide (PubChem CID 130322552) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is (2S,4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide
PubChem CID130322552
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC Name(2S,4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide
SMILESC[C@H]1CN[C@H](C(=O)NCc2cccc(Cl)c2F)C1
InChIInChI=1S/C13H16ClFN2O/c1-8-5-11(16-6-8)13(18)17-7-9-3-2-4-10(14)12(9)15/h2-4,8,11,16H,5-7H2,1H3,(H,17,18)/t8-,11+/m1/s1
InChIKeyWZXJTBLFUHTOPJ-KCJUWKMLSA-N
XLogP2.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-2-fluorophenyl)methyl]-5-azaspiro[2.4]heptane-6-carboxamide
CID 166772330
(1R,3S,5S)-N-[(3-chloro-2-fluorophenyl)methyl]-1-iodo-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 126641393
(2S,4S)-N-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28944036
(2S,4S)-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoro-4-(hydroxymethyl)pyrrolidine-2-carboxamide
CID 130322558
4-amino-N-[(3-chloro-2-fluorophenyl)methyl]-3-fluoropyrrolidine-2-carboxamide
CID 123841622
4-amino-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 123698157
2-tert-butyl-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidine-1-carboxylic acid;(2S,4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;hydrochloride
CID 118324895
N-[(2-chlorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide;6-methylisoquinoline
CID 143705584
(4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide
CID 144912516
N-[(3-chloro-2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hex-5-ene-2-carboxamide
CID 123616279
(2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 129395726
N-[(2-ethylphenyl)methyl]-4-methylpiperidine-2-carboxamide
CID 114424125

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide (CID 130322552) is (2S,4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide is C[C@H]1CN[C@H](C(=O)NCc2cccc(Cl)c2F)C1.
What is the InChIKey of (2S,4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide?
The InChIKey is WZXJTBLFUHTOPJ-KCJUWKMLSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c1-8-5-11(16-6-8)13(18)17-7-9-3-2-4-10(14)12(9)15/h2-4,8,11,16H,5-7H2,1H3,(H,17,18)/t8-,11+/m1/s1.
What are the key properties of (2S,4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide?
(2S,4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide has a molecular weight of 270.73 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 130322552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).