2-(4-ethoxyphenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyrrolidine-1-carboxamide

C24H30FN3O2 — CID 60583588

IUPAC2-(4-ethoxyphenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyrrolidine-1-carboxamide
SMILESCCOc1ccc(C2CCCN2C(=O)NCC2CCN(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C24H30FN3O2/c1-2-30-22-11-5-19(6-12-22)23-4-3-14-28(23)24(29)26-16-18-13-15-27(17-18)21-9-7-20(25)8-10-21/h5-12,18,23H,2-4,13-17H2,1H3,(H,26,29)
InChIKeyVOGSKANNYMJWDR-UHFFFAOYSA-N
MW411.52 g/mol
LogP4.60
Rot. Bonds6

About 2-(4-ethoxyphenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyrrolidine-1-carboxamide

2-(4-ethoxyphenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyrrolidine-1-carboxamide (PubChem CID 60583588) has the molecular formula C24H30FN3O2 and a molecular weight of 411.52 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyrrolidine-1-carboxamide
PubChem CID60583588
Molecular FormulaC24H30FN3O2
Molecular Weight411.52 g/mol
Exact Mass411.23
IUPAC Name2-(4-ethoxyphenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyrrolidine-1-carboxamide
SMILESCCOc1ccc(C2CCCN2C(=O)NCC2CCN(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C24H30FN3O2/c1-2-30-22-11-5-19(6-12-22)23-4-3-14-28(23)24(29)26-16-18-13-15-27(17-18)21-9-7-20(25)8-10-21/h5-12,18,23H,2-4,13-17H2,1H3,(H,26,29)
InChIKeyVOGSKANNYMJWDR-UHFFFAOYSA-N
XLogP4.60
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 124831990
(2R)-N-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 52512945
N-(2,4-difluorophenyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 51223443
N-cyclopropyl-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 47127072
2-(4-ethoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide
CID 86914008
(E)-1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one
CID 46647186
N-[[1-(4-ethoxyphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62514030
1-(4-ethoxyphenyl)-5-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide
CID 46481073
4-(azepan-1-ylmethyl)-N-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidine-1-carboxamide
CID 52536649
(2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856655
2-(4-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide
CID 50746934
(2R)-N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 94051830

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyrrolidine-1-carboxamide (CID 60583588) is 2-(4-ethoxyphenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyrrolidine-1-carboxamide is CCOc1ccc(C2CCCN2C(=O)NCC2CCN(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is VOGSKANNYMJWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O2/c1-2-30-22-11-5-19(6-12-22)23-4-3-14-28(23)24(29)26-16-18-13-15-27(17-18)21-9-7-20(25)8-10-21/h5-12,18,23H,2-4,13-17H2,1H3,(H,26,29).
What are the key properties of 2-(4-ethoxyphenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyrrolidine-1-carboxamide?
2-(4-ethoxyphenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 411.52 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 60583588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).