N-(3-fluorophenyl)-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]naphthalene-1-carboxamide

C21H16F4N2O3 — CID 11430075

IUPACN-(3-fluorophenyl)-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]naphthalene-1-carboxamide
SMILESO=C(COc1ccc(C(=O)Nc2cccc(F)c2)c2ccccc12)NCC(F)(F)F
InChIInChI=1S/C21H16F4N2O3/c22-13-4-3-5-14(10-13)27-20(29)17-8-9-18(16-7-2-1-6-15(16)17)30-11-19(28)26-12-21(23,24)25/h1-10H,11-12H2,(H,26,28)(H,27,29)
InChIKeyKAEFXDIGFSGDGQ-UHFFFAOYSA-N
MW420.36 g/mol
LogP4.29
Rot. Bonds6

About N-(3-fluorophenyl)-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]naphthalene-1-carboxamide

N-(3-fluorophenyl)-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]naphthalene-1-carboxamide (PubChem CID 11430075) has the molecular formula C21H16F4N2O3 and a molecular weight of 420.36 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]naphthalene-1-carboxamide
PubChem CID11430075
Molecular FormulaC21H16F4N2O3
Molecular Weight420.36 g/mol
Exact Mass420.11
IUPAC NameN-(3-fluorophenyl)-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]naphthalene-1-carboxamide
SMILESO=C(COc1ccc(C(=O)Nc2cccc(F)c2)c2ccccc12)NCC(F)(F)F
InChIInChI=1S/C21H16F4N2O3/c22-13-4-3-5-14(10-13)27-20(29)17-8-9-18(16-7-2-1-6-15(16)17)30-11-19(28)26-12-21(23,24)25/h1-10H,11-12H2,(H,26,28)(H,27,29)
InChIKeyKAEFXDIGFSGDGQ-UHFFFAOYSA-N
XLogP4.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.36
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-4-(2-hydroxyethoxy)naphthalene-1-carboxamide
CID 11738861
N-(3-fluorophenyl)-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]naphthalene-1-carboxamide
CID 11200985
4-(cyanomethoxy)-N-(3-fluorophenyl)naphthalene-1-carboxamide
CID 11232437
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 107698258
4-methoxy-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 112815041
[2-(3-fluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732488
2-(4-fluoro-2-sulfamoylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 82917421
2-[[6-[(3-fluorophenyl)carbamoyl]-3-tricyclo[6.2.2.02,7]dodeca-2,4,6-trienyl]oxy]acetic acid
CID 59167724
N-[2-(3-fluoroanilino)-2-oxoethyl]naphthalene-1-carboxamide
CID 42765993
N-(3-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 139177364
2-[5-fluoro-2-(phenylcarbamoyl)phenoxy]acetic acid
CID 127053810
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-fluorobenzoate
CID 2455236

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]naphthalene-1-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]naphthalene-1-carboxamide (CID 11430075) is N-(3-fluorophenyl)-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]naphthalene-1-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]naphthalene-1-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]naphthalene-1-carboxamide is O=C(COc1ccc(C(=O)Nc2cccc(F)c2)c2ccccc12)NCC(F)(F)F.
What is the InChIKey of N-(3-fluorophenyl)-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]naphthalene-1-carboxamide?
The InChIKey is KAEFXDIGFSGDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N2O3/c22-13-4-3-5-14(10-13)27-20(29)17-8-9-18(16-7-2-1-6-15(16)17)30-11-19(28)26-12-21(23,24)25/h1-10H,11-12H2,(H,26,28)(H,27,29).
What are the key properties of N-(3-fluorophenyl)-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]naphthalene-1-carboxamide?
N-(3-fluorophenyl)-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]naphthalene-1-carboxamide has a molecular weight of 420.36 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]naphthalene-1-carboxamide is sourced from PubChem (CID 11430075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).