1-(2-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide

C24H22FN3O4 — CID 43068313

IUPAC1-(2-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(c3ccccc3F)C2)cc1OCc1ccncc1
InChIInChI=1S/C24H22FN3O4/c1-31-21-7-6-18(13-22(21)32-15-16-8-10-26-11-9-16)27-24(30)17-12-23(29)28(14-17)20-5-3-2-4-19(20)25/h2-11,13,17H,12,14-15H2,1H3,(H,27,30)
InChIKeyQVZZCMLSHUUIEA-UHFFFAOYSA-N
MW435.46 g/mol
LogP3.80
Rot. Bonds7

About 1-(2-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide

1-(2-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 43068313) has the molecular formula C24H22FN3O4 and a molecular weight of 435.46 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID43068313
Molecular FormulaC24H22FN3O4
Molecular Weight435.46 g/mol
Exact Mass435.16
IUPAC Name1-(2-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(c3ccccc3F)C2)cc1OCc1ccncc1
InChIInChI=1S/C24H22FN3O4/c1-31-21-7-6-18(13-22(21)32-15-16-8-10-26-11-9-16)27-24(30)17-12-23(29)28(14-17)20-5-3-2-4-19(20)25/h2-11,13,17H,12,14-15H2,1H3,(H,27,30)
InChIKeyQVZZCMLSHUUIEA-UHFFFAOYSA-N
XLogP3.80
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51159017
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46448242
1-(3,4-dimethoxyphenyl)-5-oxo-N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-3-carboxamide
CID 46578301
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46445950
1-(2-fluorophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 580303
(3S)-N-(3,4-dimethylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26915395
(3R)-1-(2-fluorophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 8572964
1-(2,3-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide
CID 55825518
(3R)-N-(4-butylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2203536
(3S)-1-(2-methoxyphenyl)-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
CID 8762200
(3S)-N-(2-fluorophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7456530
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55642482

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 43068313) is 1-(2-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(NC(=O)C2CC(=O)N(c3ccccc3F)C2)cc1OCc1ccncc1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QVZZCMLSHUUIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O4/c1-31-21-7-6-18(13-22(21)32-15-16-8-10-26-11-9-16)27-24(30)17-12-23(29)28(14-17)20-5-3-2-4-19(20)25/h2-11,13,17H,12,14-15H2,1H3,(H,27,30).
What are the key properties of 1-(2-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 435.46 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 43068313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).