N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide

C20H19FN4O3 — CID 47799467

IUPACN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(-n2ccnc2)c(F)c1)C1CCCN1C(=O)c1ccco1
InChIInChI=1S/C20H19FN4O3/c21-15-11-14(5-6-16(15)24-9-7-22-13-24)12-23-19(26)17-3-1-8-25(17)20(27)18-4-2-10-28-18/h2,4-7,9-11,13,17H,1,3,8,12H2,(H,23,26)
InChIKeyJOOOOFPTICZLJC-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.53
Rot. Bonds5

About N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 47799467) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID47799467
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(-n2ccnc2)c(F)c1)C1CCCN1C(=O)c1ccco1
InChIInChI=1S/C20H19FN4O3/c21-15-11-14(5-6-16(15)24-9-7-22-13-24)12-23-19(26)17-3-1-8-25(17)20(27)18-4-2-10-28-18/h2,4-7,9-11,13,17H,1,3,8,12H2,(H,23,26)
InChIKeyJOOOOFPTICZLJC-UHFFFAOYSA-N
XLogP2.53
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 46537587
cis-(1R,2S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 95192041
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119863400
1-(furan-2-carbonyl)-N-[[4-(3-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 86974225
N-[[4-(ethylcarbamoyl)phenyl]methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 136578492
(2R,4S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124703470
N-[(2,4-dichlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 55973603
1-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide
CID 110934606
(2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 42879455
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 47799492
4-[(3-fluoro-4-imidazol-1-ylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509822
3-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-fluorophenyl)-1-methylurea
CID 166194769

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide (CID 47799467) is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide is O=C(NCc1ccc(-n2ccnc2)c(F)c1)C1CCCN1C(=O)c1ccco1.
What is the InChIKey of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is JOOOOFPTICZLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c21-15-11-14(5-6-16(15)24-9-7-22-13-24)12-23-19(26)17-3-1-8-25(17)20(27)18-4-2-10-28-18/h2,4-7,9-11,13,17H,1,3,8,12H2,(H,23,26).
What are the key properties of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 47799467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).