2-(3,5-difluoro-4-hydroxyphenyl)-5-iminopyrrolidine-1-carboxamide

C11H11F2N3O2 — CID 170593007

IUPAC2-(3,5-difluoro-4-hydroxyphenyl)-5-iminopyrrolidine-1-carboxamide
SMILES[H]/N=C1\CCC(c2cc(F)c(O)c(F)c2)N1C(N)=O
InChIInChI=1S/C11H11F2N3O2/c12-6-3-5(4-7(13)10(6)17)8-1-2-9(14)16(8)11(15)18/h3-4,8,14,17H,1-2H2,(H2,15,18)/b14-9+
InChIKeyUIQFOTLJUAZSQZ-NTEUORMPSA-N
MW255.22 g/mol
LogP1.86
Rot. Bonds1

About 2-(3,5-difluoro-4-hydroxyphenyl)-5-iminopyrrolidine-1-carboxamide

2-(3,5-difluoro-4-hydroxyphenyl)-5-iminopyrrolidine-1-carboxamide (PubChem CID 170593007) has the molecular formula C11H11F2N3O2 and a molecular weight of 255.22 g/mol. Its IUPAC name is 2-(3,5-difluoro-4-hydroxyphenyl)-5-iminopyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3,5-difluoro-4-hydroxyphenyl)-5-iminopyrrolidine-1-carboxamide
PubChem CID170593007
Molecular FormulaC11H11F2N3O2
Molecular Weight255.22 g/mol
Exact Mass255.08
IUPAC Name2-(3,5-difluoro-4-hydroxyphenyl)-5-iminopyrrolidine-1-carboxamide
SMILES[H]/N=C1\CCC(c2cc(F)c(O)c(F)c2)N1C(N)=O
InChIInChI=1S/C11H11F2N3O2/c12-6-3-5(4-7(13)10(6)17)8-1-2-9(14)16(8)11(15)18/h3-4,8,14,17H,1-2H2,(H2,15,18)/b14-9+
InChIKeyUIQFOTLJUAZSQZ-NTEUORMPSA-N
XLogP1.86
TPSA90.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(S)-5-(3,5-difluoro-4-hydroxyphenyl)-2-(3-fluorobicyclo[1.1.1]pentan-1-yl)-2,5,6,7-tetrahydro-3H-pyrrolo[2,1-c][1,2,4]triazol-3-one
CID 170345516
2-Fluoro-4-(pyrrolidine-1-carboximidoyl)phenol
CID 136609885
1-[(3,5-Difluoro-4-hydroxyphenyl)methyl]imidazolidin-2-one
CID 155797942
5-(3,5-difluoro-4-hydroxyphenyl)-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-one
CID 170345523
5-(3,5-Difluoro-4-hydroxyphenyl)-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one
CID 170345674
N-cyclobutyl-2-(3,5-difluorophenyl)-5-iminopyrrolidine-1-carboxamide;4-(trifluoromethyl)phenol
CID 177027077
4-(2-Amino-3-prop-2-enyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol
CID 107693860
4-Amino-5-(3-fluoro-4-hydroxyphenyl)-1,5-dihydroimidazol-2-one
CID 107693884
5-amino-3-cyclopropyl-4-(3-fluoro-4-hydroxyphenyl)-4H-imidazol-2-one
CID 107693885
5-amino-4-(3-fluoro-4-hydroxyphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one
CID 107693886
5-amino-4-(3-fluoro-4-hydroxyphenyl)-3-methyl-4H-imidazol-2-one
CID 107693887
5-amino-3-ethyl-4-(3-fluoro-4-hydroxyphenyl)-4H-imidazol-2-one
CID 107693888

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-4-hydroxyphenyl)-5-iminopyrrolidine-1-carboxamide?
The IUPAC name of 2-(3,5-difluoro-4-hydroxyphenyl)-5-iminopyrrolidine-1-carboxamide (CID 170593007) is 2-(3,5-difluoro-4-hydroxyphenyl)-5-iminopyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3,5-difluoro-4-hydroxyphenyl)-5-iminopyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3,5-difluoro-4-hydroxyphenyl)-5-iminopyrrolidine-1-carboxamide is [H]/N=C1\CCC(c2cc(F)c(O)c(F)c2)N1C(N)=O.
What is the InChIKey of 2-(3,5-difluoro-4-hydroxyphenyl)-5-iminopyrrolidine-1-carboxamide?
The InChIKey is UIQFOTLJUAZSQZ-NTEUORMPSA-N. The full InChI is InChI=1S/C11H11F2N3O2/c12-6-3-5(4-7(13)10(6)17)8-1-2-9(14)16(8)11(15)18/h3-4,8,14,17H,1-2H2,(H2,15,18)/b14-9+.
What are the key properties of 2-(3,5-difluoro-4-hydroxyphenyl)-5-iminopyrrolidine-1-carboxamide?
2-(3,5-difluoro-4-hydroxyphenyl)-5-iminopyrrolidine-1-carboxamide has a molecular weight of 255.22 g/mol, XLogP of 1.86, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-4-hydroxyphenyl)-5-iminopyrrolidine-1-carboxamide is sourced from PubChem (CID 170593007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).