N-[1-[4-(2,3-difluorophenyl)phenyl]-2-hydroxyethyl]-1-formylpyrrolidine-2-carboxamide

C20H20F2N2O3 — CID 170956165

IUPACN-[1-[4-(2,3-difluorophenyl)phenyl]-2-hydroxyethyl]-1-formylpyrrolidine-2-carboxamide
SMILESO=CN1CCCC1C(=O)NC(CO)c1ccc(-c2cccc(F)c2F)cc1
InChIInChI=1S/C20H20F2N2O3/c21-16-4-1-3-15(19(16)22)13-6-8-14(9-7-13)17(11-25)23-20(27)18-5-2-10-24(18)12-26/h1,3-4,6-9,12,17-18,25H,2,5,10-11H2,(H,23,27)
InChIKeyUKEUTJZDHOLJIU-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.40
Rot. Bonds6

About N-[1-[4-(2,3-difluorophenyl)phenyl]-2-hydroxyethyl]-1-formylpyrrolidine-2-carboxamide

N-[1-[4-(2,3-difluorophenyl)phenyl]-2-hydroxyethyl]-1-formylpyrrolidine-2-carboxamide (PubChem CID 170956165) has the molecular formula C20H20F2N2O3 and a molecular weight of 374.39 g/mol. Its IUPAC name is N-[1-[4-(2,3-difluorophenyl)phenyl]-2-hydroxyethyl]-1-formylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(2,3-difluorophenyl)phenyl]-2-hydroxyethyl]-1-formylpyrrolidine-2-carboxamide
PubChem CID170956165
Molecular FormulaC20H20F2N2O3
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC NameN-[1-[4-(2,3-difluorophenyl)phenyl]-2-hydroxyethyl]-1-formylpyrrolidine-2-carboxamide
SMILESO=CN1CCCC1C(=O)NC(CO)c1ccc(-c2cccc(F)c2F)cc1
InChIInChI=1S/C20H20F2N2O3/c21-16-4-1-3-15(19(16)22)13-6-8-14(9-7-13)17(11-25)23-20(27)18-5-2-10-24(18)12-26/h1,3-4,6-9,12,17-18,25H,2,5,10-11H2,(H,23,27)
InChIKeyUKEUTJZDHOLJIU-UHFFFAOYSA-N
XLogP2.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[4-(3-fluoro-2-pyridinyl)phenyl]-2-hydroxyethyl]-1-formylpyrrolidine-2-carboxamide;3-methylbutan-2-amine
CID 170955994
1-formyl-N-[2-hydroxy-1-[4-(4-methyl-3-pyridinyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 170954715
(2S)-N-[(1R)-1-[4-(2,3-difluorophenyl)phenyl]-2-hydroxyethyl]-1-[(2S)-3-methyl-2-(4-methylimidazol-1-yl)butanoyl]pyrrolidine-2-carboxamide
CID 170955144
[(2S)-2-[[(2S)-1-formylpiperidine-2-carbonyl]amino]-2-phenylethyl] acetate
CID 71545477
1-formyl-N-[1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 163393014
1-(2-amino-3-methylbutanoyl)-N-[1-[4-(2-chloro-3-pyridinyl)phenyl]-2-hydroxyethyl]pyrrolidine-2-carboxamide
CID 170956229
tert-butyl (2S,4R)-2-[[(1R)-1-[4-(2-fluorophenyl)phenyl]-2-hydroxyethyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 170955527
N-[1-[4-(2,6-difluorophenyl)phenyl]ethyl]-1-methylpyrrolidine-2-carboxamide;3,3-dimethylbutanal
CID 166535542
tert-butyl N-[1-[2-[[1-[4-(3-fluoro-4-pyridinyl)phenyl]-2-hydroxyethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 170955918
(2S)-N-[(1R)-1-[4-(5-chloropyridazin-4-yl)phenyl]-2-hydroxyethyl]-1-[(2S)-2-(dimethylamino)-3-methylbutanoyl]pyrrolidine-2-carboxamide
CID 170955516
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110004473
N-(2-hydroxy-1-phenylethyl)cyclobutanecarboxamide
CID 63184812

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2,3-difluorophenyl)phenyl]-2-hydroxyethyl]-1-formylpyrrolidine-2-carboxamide?
The IUPAC name of N-[1-[4-(2,3-difluorophenyl)phenyl]-2-hydroxyethyl]-1-formylpyrrolidine-2-carboxamide (CID 170956165) is N-[1-[4-(2,3-difluorophenyl)phenyl]-2-hydroxyethyl]-1-formylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-[4-(2,3-difluorophenyl)phenyl]-2-hydroxyethyl]-1-formylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-[4-(2,3-difluorophenyl)phenyl]-2-hydroxyethyl]-1-formylpyrrolidine-2-carboxamide is O=CN1CCCC1C(=O)NC(CO)c1ccc(-c2cccc(F)c2F)cc1.
What is the InChIKey of N-[1-[4-(2,3-difluorophenyl)phenyl]-2-hydroxyethyl]-1-formylpyrrolidine-2-carboxamide?
The InChIKey is UKEUTJZDHOLJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O3/c21-16-4-1-3-15(19(16)22)13-6-8-14(9-7-13)17(11-25)23-20(27)18-5-2-10-24(18)12-26/h1,3-4,6-9,12,17-18,25H,2,5,10-11H2,(H,23,27).
What are the key properties of N-[1-[4-(2,3-difluorophenyl)phenyl]-2-hydroxyethyl]-1-formylpyrrolidine-2-carboxamide?
N-[1-[4-(2,3-difluorophenyl)phenyl]-2-hydroxyethyl]-1-formylpyrrolidine-2-carboxamide has a molecular weight of 374.39 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2,3-difluorophenyl)phenyl]-2-hydroxyethyl]-1-formylpyrrolidine-2-carboxamide is sourced from PubChem (CID 170956165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).