3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-naphthalen-1-ylethyl)propanamide

C27H29FN2O3 — CID 45169277

IUPAC3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-naphthalen-1-ylethyl)propanamide
SMILESCOc1cc(CC2(CCC(=O)NCCc3cccc4ccccc34)CCC(=O)N2)ccc1F
InChIInChI=1S/C27H29FN2O3/c1-33-24-17-19(9-10-23(24)28)18-27(15-12-26(32)30-27)14-11-25(31)29-16-13-21-7-4-6-20-5-2-3-8-22(20)21/h2-10,17H,11-16,18H2,1H3,(H,29,31)(H,30,32)
InChIKeyFACYUGLABMLZEA-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.32
Rot. Bonds9

About 3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-naphthalen-1-ylethyl)propanamide

3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-naphthalen-1-ylethyl)propanamide (PubChem CID 45169277) has the molecular formula C27H29FN2O3 and a molecular weight of 448.54 g/mol. Its IUPAC name is 3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-naphthalen-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-naphthalen-1-ylethyl)propanamide
PubChem CID45169277
Molecular FormulaC27H29FN2O3
Molecular Weight448.54 g/mol
Exact Mass448.22
IUPAC Name3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-naphthalen-1-ylethyl)propanamide
SMILESCOc1cc(CC2(CCC(=O)NCCc3cccc4ccccc34)CCC(=O)N2)ccc1F
InChIInChI=1S/C27H29FN2O3/c1-33-24-17-19(9-10-23(24)28)18-27(15-12-26(32)30-27)14-11-25(31)29-16-13-21-7-4-6-20-5-2-3-8-22(20)21/h2-10,17H,11-16,18H2,1H3,(H,29,31)(H,30,32)
InChIKeyFACYUGLABMLZEA-UHFFFAOYSA-N
XLogP4.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Propanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071631
Butanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071652
Pentanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071632
1-Pyrrolidineacetamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-2-oxo-
CID 3071633
Cyclohexanecarboxamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071655
N-[2-(3-phenyl-7-methoxynaphth-1-yl)ethyl] acetamide
CID 9818487
N-[2-(9-methoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]butanamide
CID 9926755
N-[2-(3-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 25113813
Benzeneacetamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071629
N-(3-(3-methoxyphenyl)-3-(naphthalen-2-yl)propyl)acetamide
CID 44581851
2-fluoro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 57381111
N-[2-(2-fluorophenoxy)ethyl]-2-naphthylacetamide
CID 3107151

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-naphthalen-1-ylethyl)propanamide?
The IUPAC name of 3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-naphthalen-1-ylethyl)propanamide (CID 45169277) is 3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-naphthalen-1-ylethyl)propanamide.
What is the SMILES notation for 3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-naphthalen-1-ylethyl)propanamide?
The canonical SMILES for 3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-naphthalen-1-ylethyl)propanamide is COc1cc(CC2(CCC(=O)NCCc3cccc4ccccc34)CCC(=O)N2)ccc1F.
What is the InChIKey of 3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-naphthalen-1-ylethyl)propanamide?
The InChIKey is FACYUGLABMLZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O3/c1-33-24-17-19(9-10-23(24)28)18-27(15-12-26(32)30-27)14-11-25(31)29-16-13-21-7-4-6-20-5-2-3-8-22(20)21/h2-10,17H,11-16,18H2,1H3,(H,29,31)(H,30,32).
What are the key properties of 3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-naphthalen-1-ylethyl)propanamide?
3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-naphthalen-1-ylethyl)propanamide has a molecular weight of 448.54 g/mol, XLogP of 4.32, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-naphthalen-1-ylethyl)propanamide is sourced from PubChem (CID 45169277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).