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

C24H29FN2O4 — CID 55637454

IUPAC1-(2-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(C(C)NC(=O)C2CC(=O)N(c3ccccc3F)C2)ccc1OCC(C)C
InChIInChI=1S/C24H29FN2O4/c1-15(2)14-31-21-10-9-17(11-22(21)30-4)16(3)26-24(29)18-12-23(28)27(13-18)20-8-6-5-7-19(20)25/h5-11,15-16,18H,12-14H2,1-4H3,(H,26,29)
InChIKeyDLRKACLYSRKTNK-UHFFFAOYSA-N
MW428.50 g/mol
LogP4.10
Rot. Bonds8

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

1-(2-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55637454) has the molecular formula C24H29FN2O4 and a molecular weight of 428.50 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55637454
Molecular FormulaC24H29FN2O4
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC Name1-(2-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(C(C)NC(=O)C2CC(=O)N(c3ccccc3F)C2)ccc1OCC(C)C
InChIInChI=1S/C24H29FN2O4/c1-15(2)14-31-21-10-9-17(11-22(21)30-4)16(3)26-24(29)18-12-23(28)27(13-18)20-8-6-5-7-19(20)25/h5-11,15-16,18H,12-14H2,1-4H3,(H,26,29)
InChIKeyDLRKACLYSRKTNK-UHFFFAOYSA-N
XLogP4.10
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 51175319
N-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 43024563
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108788294
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004996
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 119294139
(3S)-1-(2,5-dimethoxyphenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 51935329
N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55747807
1-(2-methoxyphenyl)-5-oxo-N-(1-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 78775658
(2R)-2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119363195
1-(2-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43022713
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 42958521
1-(2-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46663719

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide (CID 55637454) is 1-(2-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide is COc1cc(C(C)NC(=O)C2CC(=O)N(c3ccccc3F)C2)ccc1OCC(C)C.
What is the InChIKey of 1-(2-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DLRKACLYSRKTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O4/c1-15(2)14-31-21-10-9-17(11-22(21)30-4)16(3)26-24(29)18-12-23(28)27(13-18)20-8-6-5-7-19(20)25/h5-11,15-16,18H,12-14H2,1-4H3,(H,26,29).
What are the key properties of 1-(2-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 428.50 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55637454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).