N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide

C23H21FN2O4 — CID 46537587

IUPACN-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(Oc2ccc(F)cc2)cc1)C1CCCN1C(=O)c1ccco1
InChIInChI=1S/C23H21FN2O4/c24-17-7-11-19(12-8-17)30-18-9-5-16(6-10-18)15-25-22(27)20-3-1-13-26(20)23(28)21-4-2-14-29-21/h2,4-12,14,20H,1,3,13,15H2,(H,25,27)
InChIKeyOIKUQKMKZNAOBD-UHFFFAOYSA-N
MW408.43 g/mol
LogP4.13
Rot. Bonds6

About N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide

N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 46537587) has the molecular formula C23H21FN2O4 and a molecular weight of 408.43 g/mol. Its IUPAC name is N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID46537587
Molecular FormulaC23H21FN2O4
Molecular Weight408.43 g/mol
Exact Mass408.15
IUPAC NameN-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(Oc2ccc(F)cc2)cc1)C1CCCN1C(=O)c1ccco1
InChIInChI=1S/C23H21FN2O4/c24-17-7-11-19(12-8-17)30-18-9-5-16(6-10-18)15-25-22(27)20-3-1-13-26(20)23(28)21-4-2-14-29-21/h2,4-12,14,20H,1,3,13,15H2,(H,25,27)
InChIKeyOIKUQKMKZNAOBD-UHFFFAOYSA-N
XLogP4.13
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 24517851
1-(furan-2-carbonyl)-N-[[4-(3-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 86974225
(2S)-1-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468512
N-[[4-(ethylcarbamoyl)phenyl]methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 136578492
1-(3-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 46757142
1-(furan-2-carbonyl)-N-[4-(4-methylphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 24658906
1-(furan-2-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 75195661
(2R)-N-benzyl-1-[(2R)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 51049765
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 47799467
(2S)-1-(furan-2-carbonyl)-N-[(2-propan-2-yloxyphenyl)methyl]piperidine-2-carboxamide
CID 52524693
(2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 42879455
1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide (CID 46537587) is N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide is O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)C1CCCN1C(=O)c1ccco1.
What is the InChIKey of N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is OIKUQKMKZNAOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4/c24-17-7-11-19(12-8-17)30-18-9-5-16(6-10-18)15-25-22(27)20-3-1-13-26(20)23(28)21-4-2-14-29-21/h2,4-12,14,20H,1,3,13,15H2,(H,25,27).
What are the key properties of N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 408.43 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 46537587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).