N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide

C19H20FN3O3 — CID 119741551

IUPACN-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(CNC(=O)C2CC(O)CN2)c1)c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O3/c20-14-6-4-13(5-7-14)18(25)23-15-3-1-2-12(8-15)10-22-19(26)17-9-16(24)11-21-17/h1-8,16-17,21,24H,9-11H2,(H,22,26)(H,23,25)
InChIKeyGKWJBQOMPMWALN-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.42
Rot. Bonds5

About N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide

N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 119741551) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID119741551
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC NameN-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(CNC(=O)C2CC(O)CN2)c1)c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O3/c20-14-6-4-13(5-7-14)18(25)23-15-3-1-2-12(8-15)10-22-19(26)17-9-16(24)11-21-17/h1-8,16-17,21,24H,9-11H2,(H,22,26)(H,23,25)
InChIKeyGKWJBQOMPMWALN-UHFFFAOYSA-N
XLogP1.42
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
N-[3-[(cyclohex-3-ene-1-carbonylamino)methyl]phenyl]-4-fluorobenzamide
CID 55894282
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119842520
N-[2-(3-fluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43566272
N-[3-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-4-fluorobenzamide
CID 55893896
(2R,4R)-N-[(4-fluoro-3-methylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124587754
(2S,4R)-4-hydroxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 125152807
N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119739957
4-fluoro-N-[3-[(2,2,2-trifluoroethylcarbamoylamino)methyl]phenyl]benzamide
CID 47066077
(2S,4R)-4-hydroxy-N-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 170699848
4-fluoro-N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]benzamide
CID 51121607
methyl 2-[3-[[(4-hydroxypyrrolidine-2-carbonyl)amino]methyl]phenoxy]acetate
CID 119787113

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide (CID 119741551) is N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide is O=C(Nc1cccc(CNC(=O)C2CC(O)CN2)c1)c1ccc(F)cc1.
What is the InChIKey of N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is GKWJBQOMPMWALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c20-14-6-4-13(5-7-14)18(25)23-15-3-1-2-12(8-15)10-22-19(26)17-9-16(24)11-21-17/h1-8,16-17,21,24H,9-11H2,(H,22,26)(H,23,25).
What are the key properties of N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 1.42, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 119741551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).