N-[[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]methyl]-1-fluoropyrrolidine-2-carboxamide

C18H17F4N3O — CID 118007851

IUPACN-[[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]methyl]-1-fluoropyrrolidine-2-carboxamide
SMILESO=C(NCc1cc(-c2ccc(C(F)F)cc2)c(F)cn1)C1CCCN1F
InChIInChI=1S/C18H17F4N3O/c19-15-10-23-13(9-24-18(26)16-2-1-7-25(16)22)8-14(15)11-3-5-12(6-4-11)17(20)21/h3-6,8,10,16-17H,1-2,7,9H2,(H,24,26)
InChIKeyPIHKFEUDOQEEDH-UHFFFAOYSA-N
MW367.35 g/mol
LogP3.79
Rot. Bonds5

About N-[[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]methyl]-1-fluoropyrrolidine-2-carboxamide

N-[[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]methyl]-1-fluoropyrrolidine-2-carboxamide (PubChem CID 118007851) has the molecular formula C18H17F4N3O and a molecular weight of 367.35 g/mol. Its IUPAC name is N-[[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]methyl]-1-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]methyl]-1-fluoropyrrolidine-2-carboxamide
PubChem CID118007851
Molecular FormulaC18H17F4N3O
Molecular Weight367.35 g/mol
Exact Mass367.13
IUPAC NameN-[[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]methyl]-1-fluoropyrrolidine-2-carboxamide
SMILESO=C(NCc1cc(-c2ccc(C(F)F)cc2)c(F)cn1)C1CCCN1F
InChIInChI=1S/C18H17F4N3O/c19-15-10-23-13(9-24-18(26)16-2-1-7-25(16)22)8-14(15)11-3-5-12(6-4-11)17(20)21/h3-6,8,10,16-17H,1-2,7,9H2,(H,24,26)
InChIKeyPIHKFEUDOQEEDH-UHFFFAOYSA-N
XLogP3.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,4R)-N-[[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 118007959
(2S)-1-(4-fluorophenyl)sulfonyl-N-[[5-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 144826755
tert-butyl 2-[[5-carbamoyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 123269132
tert-butyl (2S)-2-[[5-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 162594787
(2S,4R)-N-[[5-cyano-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 118019668
N-[[5-cyano-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 118007980
1-(4-fluorophenyl)sulfinyl-N-(pyrimidin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 144826659
1-(4-fluorophenyl)sulfonyl-N-[[2-fluoro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 123710348
1-(4-fluorophenyl)sulfonyl-N-[[4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 77193797
1-(4-fluorophenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide
CID 49399124
4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide
CID 122514839
(2S,4R)-2-[[5-cyano-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methylcarbamoyl]-4-fluoropyrrolidine-1-carboxylic acid
CID 118008434

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]methyl]-1-fluoropyrrolidine-2-carboxamide?
The IUPAC name of N-[[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]methyl]-1-fluoropyrrolidine-2-carboxamide (CID 118007851) is N-[[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]methyl]-1-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]methyl]-1-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for N-[[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]methyl]-1-fluoropyrrolidine-2-carboxamide is O=C(NCc1cc(-c2ccc(C(F)F)cc2)c(F)cn1)C1CCCN1F.
What is the InChIKey of N-[[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]methyl]-1-fluoropyrrolidine-2-carboxamide?
The InChIKey is PIHKFEUDOQEEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4N3O/c19-15-10-23-13(9-24-18(26)16-2-1-7-25(16)22)8-14(15)11-3-5-12(6-4-11)17(20)21/h3-6,8,10,16-17H,1-2,7,9H2,(H,24,26).
What are the key properties of N-[[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]methyl]-1-fluoropyrrolidine-2-carboxamide?
N-[[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]methyl]-1-fluoropyrrolidine-2-carboxamide has a molecular weight of 367.35 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]methyl]-1-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 118007851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).