3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide

C28H25FN2O4 — CID 32512845

IUPAC3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C28H25FN2O4/c1-34-25-9-5-4-8-24(25)31-28(33)23-16-20-6-2-3-7-21(20)17-26(23)35-18-27(32)30-15-14-19-10-12-22(29)13-11-19/h2-13,16-17H,14-15,18H2,1H3,(H,30,32)(H,31,33)
InChIKeyFYNOWAUDUZXCIA-UHFFFAOYSA-N
MW472.52 g/mol
LogP4.98
Rot. Bonds9

About 3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide

3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide (PubChem CID 32512845) has the molecular formula C28H25FN2O4 and a molecular weight of 472.52 g/mol. Its IUPAC name is 3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
PubChem CID32512845
Molecular FormulaC28H25FN2O4
Molecular Weight472.52 g/mol
Exact Mass472.18
IUPAC Name3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C28H25FN2O4/c1-34-25-9-5-4-8-24(25)31-28(33)23-16-20-6-2-3-7-21(20)17-26(23)35-18-27(32)30-15-14-19-10-12-22(29)13-11-19/h2-13,16-17H,14-15,18H2,1H3,(H,30,32)(H,31,33)
InChIKeyFYNOWAUDUZXCIA-UHFFFAOYSA-N
XLogP4.98
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(3-chlorophenyl)methylamino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 112788524
3-[2-(2,3-dimethylanilino)-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 26217134
N-(2-methylphenyl)-3-[2-oxo-2-(propylamino)ethoxy]naphthalene-2-carboxamide
CID 7893630
N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 748766
2-(2-acetyl-4-methoxyphenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 18077065
2-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzamide
CID 18085820
N-[2-(3,5-difluorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 51101643
4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 16552543
N-[2-(4-fluorophenyl)ethyl]-2-(2-iodophenoxy)acetamide
CID 38878415
2-(2-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7658830
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7700300
2-(2-bromophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7847687

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide?
The IUPAC name of 3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide (CID 32512845) is 3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide is COc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide?
The InChIKey is FYNOWAUDUZXCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN2O4/c1-34-25-9-5-4-8-24(25)31-28(33)23-16-20-6-2-3-7-21(20)17-26(23)35-18-27(32)30-15-14-19-10-12-22(29)13-11-19/h2-13,16-17H,14-15,18H2,1H3,(H,30,32)(H,31,33).
What are the key properties of 3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide?
3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide has a molecular weight of 472.52 g/mol, XLogP of 4.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 32512845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).