(2R,4R)-N-[5-[(3-cyanophenyl)methyl]-2-fluorophenyl]-4-hydroxypyrrolidine-2-carboxamide

C19H18FN3O2 — CID 167135763

IUPAC(2R,4R)-N-[5-[(3-cyanophenyl)methyl]-2-fluorophenyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESN#Cc1cccc(Cc2ccc(F)c(NC(=O)[C@H]3C[C@@H](O)CN3)c2)c1
InChIInChI=1S/C19H18FN3O2/c20-16-5-4-13(6-12-2-1-3-14(7-12)10-21)8-17(16)23-19(25)18-9-15(24)11-22-18/h1-5,7-8,15,18,22,24H,6,9,11H2,(H,23,25)/t15-,18-/m1/s1
InChIKeyAFELJDJEKCKRIG-CRAIPNDOSA-N
MW339.37 g/mol
LogP1.95
Rot. Bonds4

About (2R,4R)-N-[5-[(3-cyanophenyl)methyl]-2-fluorophenyl]-4-hydroxypyrrolidine-2-carboxamide

(2R,4R)-N-[5-[(3-cyanophenyl)methyl]-2-fluorophenyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 167135763) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is (2R,4R)-N-[5-[(3-cyanophenyl)methyl]-2-fluorophenyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-N-[5-[(3-cyanophenyl)methyl]-2-fluorophenyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID167135763
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name(2R,4R)-N-[5-[(3-cyanophenyl)methyl]-2-fluorophenyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESN#Cc1cccc(Cc2ccc(F)c(NC(=O)[C@H]3C[C@@H](O)CN3)c2)c1
InChIInChI=1S/C19H18FN3O2/c20-16-5-4-13(6-12-2-1-3-14(7-12)10-21)8-17(16)23-19(25)18-9-15(24)11-22-18/h1-5,7-8,15,18,22,24H,6,9,11H2,(H,23,25)/t15-,18-/m1/s1
InChIKeyAFELJDJEKCKRIG-CRAIPNDOSA-N
XLogP1.95
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43703870
methyl 4-fluoro-3-[(4-hydroxypyrrolidine-2-carbonyl)amino]benzoate
CID 43703157
(2R,4R)-N-[5-[(3S)-3-amino-3-cyclopropyl-3-pyridin-2-ylpropyl]-2-fluorophenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 135281841
(2R,4R)-N-[(4-fluoro-3-methylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124587754
N-[2-(3-fluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43566272
N-(2-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43150554
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
(2S,4R)-4-[(3-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 2762037
4-hydroxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 120607826
N-[(4-cyanophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 54871079
N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43703764
N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119739957

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-[5-[(3-cyanophenyl)methyl]-2-fluorophenyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-N-[5-[(3-cyanophenyl)methyl]-2-fluorophenyl]-4-hydroxypyrrolidine-2-carboxamide (CID 167135763) is (2R,4R)-N-[5-[(3-cyanophenyl)methyl]-2-fluorophenyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-N-[5-[(3-cyanophenyl)methyl]-2-fluorophenyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-N-[5-[(3-cyanophenyl)methyl]-2-fluorophenyl]-4-hydroxypyrrolidine-2-carboxamide is N#Cc1cccc(Cc2ccc(F)c(NC(=O)[C@H]3C[C@@H](O)CN3)c2)c1.
What is the InChIKey of (2R,4R)-N-[5-[(3-cyanophenyl)methyl]-2-fluorophenyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is AFELJDJEKCKRIG-CRAIPNDOSA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-16-5-4-13(6-12-2-1-3-14(7-12)10-21)8-17(16)23-19(25)18-9-15(24)11-22-18/h1-5,7-8,15,18,22,24H,6,9,11H2,(H,23,25)/t15-,18-/m1/s1.
What are the key properties of (2R,4R)-N-[5-[(3-cyanophenyl)methyl]-2-fluorophenyl]-4-hydroxypyrrolidine-2-carboxamide?
(2R,4R)-N-[5-[(3-cyanophenyl)methyl]-2-fluorophenyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-[5-[(3-cyanophenyl)methyl]-2-fluorophenyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 167135763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).