N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-pyrrol-1-ylbenzamide

C20H19FN2O2 — CID 110308956

IUPACN-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-pyrrol-1-ylbenzamide
SMILESCC(O)(CNC(=O)c1ccc(-n2cccc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H19FN2O2/c1-20(25,16-6-8-17(21)9-7-16)14-22-19(24)15-4-10-18(11-5-15)23-12-2-3-13-23/h2-13,25H,14H2,1H3,(H,22,24)
InChIKeyUMLIWVDDQMNEHT-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.25
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-pyrrol-1-ylbenzamide

N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-pyrrol-1-ylbenzamide (PubChem CID 110308956) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-pyrrol-1-ylbenzamide
PubChem CID110308956
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC NameN-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-pyrrol-1-ylbenzamide
SMILESCC(O)(CNC(=O)c1ccc(-n2cccc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H19FN2O2/c1-20(25,16-6-8-17(21)9-7-16)14-22-19(24)15-4-10-18(11-5-15)23-12-2-3-13-23/h2-13,25H,14H2,1H3,(H,22,24)
InChIKeyUMLIWVDDQMNEHT-UHFFFAOYSA-N
XLogP3.25
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-hydroxy-3-[2-oxo-2-(4-pyridinyl)ethyl]-1,3-dihydro-2H-indol-2-one
CID 2998832
5-[(2S,3R)-1-(4-cyano-3-fluorophenyl)-3-hydroxy-2-methylpyrrolidin-3-yl]-N-methylpyridine-2-carboxamide
CID 70960760
5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide
CID 156118171
5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 156646561
3-hydroxy-1-methyl-3-{2-oxo-2-[3-(1H-pyrrol-1-yl)phenyl]ethyl}-1,3-dihydro-2H-indol-2-one
CID 2957988
3-Hydroxy-3-[2-oxo-2-(4-pyrrol-1-ylphenyl)ethyl]-1-prop-2-enylindol-2-one
CID 2969506
N-(4-acetylphenyl)-3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 3230880
(R)-2-(2-(1H-pyrrol-1-yl)ethyl)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)benzamide
CID 46881981
(R)-3-(2-(1H-pyrrol-1-yl)ethyl)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)benzamide
CID 46882029
3-hydroxy-5-methyl-3-{2-oxo-2-[3-(1H-pyrrol-1-yl)phenyl]ethyl}-1,3-dihydro-2H-indol-2-one
CID 4918847
3-hydroxy-3-{2-oxo-2-[3-(1H-pyrrol-1-yl)phenyl]ethyl}-1,3-dihydro-2H-indol-2-one
CID 2956664
US8609678, 4-((4-fluorophenyl)(hydroxy)(pyridin-2-yl)methyl)-N-(7-(hydroxyamino)-7-oxoheptyl)-N-methylbenzamide [141]
CID 58537011

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-pyrrol-1-ylbenzamide (CID 110308956) is N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-pyrrol-1-ylbenzamide is CC(O)(CNC(=O)c1ccc(-n2cccc2)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is UMLIWVDDQMNEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-20(25,16-6-8-17(21)9-7-16)14-22-19(24)15-4-10-18(11-5-15)23-12-2-3-13-23/h2-13,25H,14H2,1H3,(H,22,24).
What are the key properties of N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-pyrrol-1-ylbenzamide?
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 338.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 110308956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).