N-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3-fluorobenzamide

C23H21FN2O4 — CID 112768786

IUPACN-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3-fluorobenzamide
SMILESCCOc1ccc(Oc2ccccc2NC(=O)CNC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C23H21FN2O4/c1-2-29-18-10-12-19(13-11-18)30-21-9-4-3-8-20(21)26-22(27)15-25-23(28)16-6-5-7-17(24)14-16/h3-14H,2,15H2,1H3,(H,25,28)(H,26,27)
InChIKeyPBYUCBOOMUCGKI-UHFFFAOYSA-N
MW408.43 g/mol
LogP4.39
Rot. Bonds8

About N-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3-fluorobenzamide

N-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3-fluorobenzamide (PubChem CID 112768786) has the molecular formula C23H21FN2O4 and a molecular weight of 408.43 g/mol. Its IUPAC name is N-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3-fluorobenzamide
PubChem CID112768786
Molecular FormulaC23H21FN2O4
Molecular Weight408.43 g/mol
Exact Mass408.15
IUPAC NameN-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3-fluorobenzamide
SMILESCCOc1ccc(Oc2ccccc2NC(=O)CNC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C23H21FN2O4/c1-2-29-18-10-12-19(13-11-18)30-21-9-4-3-8-20(21)26-22(27)15-25-23(28)16-6-5-7-17(24)14-16/h3-14H,2,15H2,1H3,(H,25,28)(H,26,27)
InChIKeyPBYUCBOOMUCGKI-UHFFFAOYSA-N
XLogP4.39
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 9412541
N-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 60567011
3-fluoro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide
CID 34231408
2-fluoro-N-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]benzamide
CID 17421842
[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662888
N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108542788
N-[2-(4-ethoxyphenoxy)phenyl]-4-methylbenzamide
CID 7925397
N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78900659
3-(2-amino-2-oxoethoxy)-N-[2-(4-ethoxyphenoxy)phenyl]benzamide
CID 35680500
N-[2-(4-ethoxyphenoxy)phenyl]-3-nitrobenzamide
CID 7925385
N-[(2-ethoxyphenyl)carbamothioyl]-3-fluorobenzamide
CID 17099525
4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
CID 9416291

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3-fluorobenzamide (CID 112768786) is N-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3-fluorobenzamide is CCOc1ccc(Oc2ccccc2NC(=O)CNC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of N-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3-fluorobenzamide?
The InChIKey is PBYUCBOOMUCGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4/c1-2-29-18-10-12-19(13-11-18)30-21-9-4-3-8-20(21)26-22(27)15-25-23(28)16-6-5-7-17(24)14-16/h3-14H,2,15H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3-fluorobenzamide?
N-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3-fluorobenzamide has a molecular weight of 408.43 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3-fluorobenzamide is sourced from PubChem (CID 112768786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).