1-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide

C23H22F2N2O3 — CID 154838099

IUPAC1-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccco1)C1CCCN1Cc1ccc(Oc2ccccc2F)c(F)c1
InChIInChI=1S/C23H22F2N2O3/c24-18-6-1-2-8-21(18)30-22-10-9-16(13-19(22)25)15-27-11-3-7-20(27)23(28)26-14-17-5-4-12-29-17/h1-2,4-6,8-10,12-13,20H,3,7,11,14-15H2,(H,26,28)
InChIKeyRHWDMUPRPJOBCT-UHFFFAOYSA-N
MW412.44 g/mol
LogP4.63
Rot. Bonds7

About 1-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide

1-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 154838099) has the molecular formula C23H22F2N2O3 and a molecular weight of 412.44 g/mol. Its IUPAC name is 1-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID154838099
Molecular FormulaC23H22F2N2O3
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC Name1-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccco1)C1CCCN1Cc1ccc(Oc2ccccc2F)c(F)c1
InChIInChI=1S/C23H22F2N2O3/c24-18-6-1-2-8-21(18)30-22-10-9-16(13-19(22)25)15-27-11-3-7-20(27)23(28)26-14-17-5-4-12-29-17/h1-2,4-6,8-10,12-13,20H,3,7,11,14-15H2,(H,26,28)
InChIKeyRHWDMUPRPJOBCT-UHFFFAOYSA-N
XLogP4.63
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 119909233
(2S)-1-[(4-cyanophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 38774108
N-(furan-2-ylmethyl)-1-(3-phenoxypropyl)pyrrolidine-2-carboxamide
CID 42885954
N-(furan-2-ylmethyl)-1-(2-hydroxybutyl)pyrrolidine-2-carboxamide
CID 111123272
N-(furan-2-ylmethyl)-1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 85487201
1-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 47025093
(2R)-1-[2-(3-fluorophenyl)acetyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95282764
N-(furan-2-ylmethyl)-1-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 55590977
1-(3-fluoro-2-pyridinyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 86805094
N-(furan-2-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)pyrrolidine-2-carboxamide
CID 91644166
1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 75438534
1-[[3-(furan-2-ylmethylcarbamoylamino)phenyl]methyl]pyrrolidine-2-carboxamide
CID 47075956

Frequently Asked Questions

What is the IUPAC name of 1-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide (CID 154838099) is 1-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCc1ccco1)C1CCCN1Cc1ccc(Oc2ccccc2F)c(F)c1.
What is the InChIKey of 1-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is RHWDMUPRPJOBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O3/c24-18-6-1-2-8-21(18)30-22-10-9-16(13-19(22)25)15-27-11-3-7-20(27)23(28)26-14-17-5-4-12-29-17/h1-2,4-6,8-10,12-13,20H,3,7,11,14-15H2,(H,26,28).
What are the key properties of 1-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
1-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 412.44 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 154838099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).