2-ethoxy-N-[2-[3-[(3-fluorophenoxy)methyl]anilino]-2-oxoethyl]benzamide

C24H23FN2O4 — CID 38613975

IUPAC2-ethoxy-N-[2-[3-[(3-fluorophenoxy)methyl]anilino]-2-oxoethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)Nc1cccc(COc2cccc(F)c2)c1
InChIInChI=1S/C24H23FN2O4/c1-2-30-22-12-4-3-11-21(22)24(29)26-15-23(28)27-19-9-5-7-17(13-19)16-31-20-10-6-8-18(25)14-20/h3-14H,2,15-16H2,1H3,(H,26,29)(H,27,28)
InChIKeyUUZKMLXAFKQAEW-UHFFFAOYSA-N
MW422.46 g/mol
LogP4.17
Rot. Bonds9

About 2-ethoxy-N-[2-[3-[(3-fluorophenoxy)methyl]anilino]-2-oxoethyl]benzamide

2-ethoxy-N-[2-[3-[(3-fluorophenoxy)methyl]anilino]-2-oxoethyl]benzamide (PubChem CID 38613975) has the molecular formula C24H23FN2O4 and a molecular weight of 422.46 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[3-[(3-fluorophenoxy)methyl]anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[3-[(3-fluorophenoxy)methyl]anilino]-2-oxoethyl]benzamide
PubChem CID38613975
Molecular FormulaC24H23FN2O4
Molecular Weight422.46 g/mol
Exact Mass422.16
IUPAC Name2-ethoxy-N-[2-[3-[(3-fluorophenoxy)methyl]anilino]-2-oxoethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)Nc1cccc(COc2cccc(F)c2)c1
InChIInChI=1S/C24H23FN2O4/c1-2-30-22-12-4-3-11-21(22)24(29)26-15-23(28)27-19-9-5-7-17(13-19)16-31-20-10-6-8-18(25)14-20/h3-14H,2,15-16H2,1H3,(H,26,29)(H,27,28)
InChIKeyUUZKMLXAFKQAEW-UHFFFAOYSA-N
XLogP4.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide
CID 46510511
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-ethoxybenzamide
CID 9165970
2-ethoxy-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide
CID 9071303
2-(2-ethoxyphenoxy)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide
CID 55577983
2-ethylsulfinyl-N-[3-[(3-fluorophenoxy)methyl]phenyl]benzamide
CID 112821396
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-formylphenoxy)acetamide
CID 60513959
4-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]pentanamide
CID 120560905
4-ethoxy-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 9412541
N-[3-[3-[(3-fluorophenyl)methoxy]anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 55890536
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-phenoxyethoxy)acetamide
CID 55761188
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 38614359
N-[3-[3-[(3-fluorophenoxy)methyl]anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 38614236

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[3-[(3-fluorophenoxy)methyl]anilino]-2-oxoethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-[3-[(3-fluorophenoxy)methyl]anilino]-2-oxoethyl]benzamide (CID 38613975) is 2-ethoxy-N-[2-[3-[(3-fluorophenoxy)methyl]anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-[3-[(3-fluorophenoxy)methyl]anilino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-[3-[(3-fluorophenoxy)methyl]anilino]-2-oxoethyl]benzamide is CCOc1ccccc1C(=O)NCC(=O)Nc1cccc(COc2cccc(F)c2)c1.
What is the InChIKey of 2-ethoxy-N-[2-[3-[(3-fluorophenoxy)methyl]anilino]-2-oxoethyl]benzamide?
The InChIKey is UUZKMLXAFKQAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O4/c1-2-30-22-12-4-3-11-21(22)24(29)26-15-23(28)27-19-9-5-7-17(13-19)16-31-20-10-6-8-18(25)14-20/h3-14H,2,15-16H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 2-ethoxy-N-[2-[3-[(3-fluorophenoxy)methyl]anilino]-2-oxoethyl]benzamide?
2-ethoxy-N-[2-[3-[(3-fluorophenoxy)methyl]anilino]-2-oxoethyl]benzamide has a molecular weight of 422.46 g/mol, XLogP of 4.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[3-[(3-fluorophenoxy)methyl]anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 38613975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).