2-ethoxy-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]naphthalene-1-carboxamide

C25H25FN2O3 — CID 16919477

IUPAC2-ethoxy-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCC1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C25H25FN2O3/c1-2-31-22-12-9-19-5-3-4-6-21(19)24(22)25(30)27-14-18-13-23(29)28(16-18)15-17-7-10-20(26)11-8-17/h3-12,18H,2,13-16H2,1H3,(H,27,30)
InChIKeyKCIPIADAJWOXSC-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.16
Rot. Bonds7

About 2-ethoxy-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]naphthalene-1-carboxamide

2-ethoxy-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]naphthalene-1-carboxamide (PubChem CID 16919477) has the molecular formula C25H25FN2O3 and a molecular weight of 420.48 g/mol. Its IUPAC name is 2-ethoxy-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]naphthalene-1-carboxamide
PubChem CID16919477
Molecular FormulaC25H25FN2O3
Molecular Weight420.48 g/mol
Exact Mass420.18
IUPAC Name2-ethoxy-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCC1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C25H25FN2O3/c1-2-31-22-12-9-19-5-3-4-6-21(19)24(22)25(30)27-14-18-13-23(29)28(16-18)15-17-7-10-20(26)11-8-17/h3-12,18H,2,13-16H2,1H3,(H,27,30)
InChIKeyKCIPIADAJWOXSC-UHFFFAOYSA-N
XLogP4.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 16919398
ethyl 2-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methylamino]-2-oxoacetate
CID 16919419
2-ethoxy-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 16919418
2-ethyl-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]butanamide
CID 16919406
N-[[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-2-methoxyacetamide
CID 40911335
1-[(3,4-dimethoxyphenyl)methyl]-3-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920373
N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 16919409
(Z)-N-[[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]but-2-enamide
CID 40911334
1-(4-fluorophenyl)-3-[[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]urea
CID 40923279
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide
CID 40898594
4-bromo-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]butanamide
CID 16919535
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 16919346

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]naphthalene-1-carboxamide?
The IUPAC name of 2-ethoxy-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]naphthalene-1-carboxamide (CID 16919477) is 2-ethoxy-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for 2-ethoxy-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]naphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)NCC1CC(=O)N(Cc2ccc(F)cc2)C1.
What is the InChIKey of 2-ethoxy-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]naphthalene-1-carboxamide?
The InChIKey is KCIPIADAJWOXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O3/c1-2-31-22-12-9-19-5-3-4-6-21(19)24(22)25(30)27-14-18-13-23(29)28(16-18)15-17-7-10-20(26)11-8-17/h3-12,18H,2,13-16H2,1H3,(H,27,30).
What are the key properties of 2-ethoxy-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]naphthalene-1-carboxamide?
2-ethoxy-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]naphthalene-1-carboxamide has a molecular weight of 420.48 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 16919477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).