3-(N-[2-[4-(4-fluorobenzoyl)phenoxy]acetyl]anilino)propanamide

C24H21FN2O4 — CID 37324442

IUPAC3-(N-[2-[4-(4-fluorobenzoyl)phenoxy]acetyl]anilino)propanamide
SMILESNC(=O)CCN(C(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccccc1
InChIInChI=1S/C24H21FN2O4/c25-19-10-6-17(7-11-19)24(30)18-8-12-21(13-9-18)31-16-23(29)27(15-14-22(26)28)20-4-2-1-3-5-20/h1-13H,14-16H2,(H2,26,28)
InChIKeyVDZXMCMUDRVUEH-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.34
Rot. Bonds9

About 3-(N-[2-[4-(4-fluorobenzoyl)phenoxy]acetyl]anilino)propanamide

3-(N-[2-[4-(4-fluorobenzoyl)phenoxy]acetyl]anilino)propanamide (PubChem CID 37324442) has the molecular formula C24H21FN2O4 and a molecular weight of 420.44 g/mol. Its IUPAC name is 3-(N-[2-[4-(4-fluorobenzoyl)phenoxy]acetyl]anilino)propanamide.

Molecular Properties

Compound Name3-(N-[2-[4-(4-fluorobenzoyl)phenoxy]acetyl]anilino)propanamide
PubChem CID37324442
Molecular FormulaC24H21FN2O4
Molecular Weight420.44 g/mol
Exact Mass420.15
IUPAC Name3-(N-[2-[4-(4-fluorobenzoyl)phenoxy]acetyl]anilino)propanamide
SMILESNC(=O)CCN(C(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccccc1
InChIInChI=1S/C24H21FN2O4/c25-19-10-6-17(7-11-19)24(30)18-8-12-21(13-9-18)31-16-23(29)27(15-14-22(26)28)20-4-2-1-3-5-20/h1-13H,14-16H2,(H2,26,28)
InChIKeyVDZXMCMUDRVUEH-UHFFFAOYSA-N
XLogP3.34
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluoro-N-[2-(4-methoxyphenoxy)acetyl]anilino)propanamide
CID 17419390
N-(2-cyanoethyl)-2-[4-(4-fluorobenzoyl)phenoxy]-N-phenylacetamide
CID 46805536
3-(4-fluoro-N-[2-(4-nitrophenoxy)acetyl]anilino)propanamide
CID 27310527
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 4-benzoylbenzoate
CID 24526690
[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 3-phenylmethoxybenzoate
CID 24526169
3-(N-[2-(2,6-dichlorophenoxy)acetyl]anilino)propanamide
CID 51263825
3-(4-fluoro-N-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]anilino)propanamide
CID 34721565
3-(4-fluoro-N-[2-(2,4,5-trichlorophenoxy)acetyl]anilino)propanamide
CID 27316862
N-benzyl-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-methoxyethyl)acetamide
CID 9289798
3-(N-[2-(4-acetyl-2-methoxyphenoxy)acetyl]anilino)propanamide
CID 46644938
[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 27310320
3-amino-N-(3-amino-3-oxopropyl)-N-phenylpropanamide
CID 119275160

Frequently Asked Questions

What is the IUPAC name of 3-(N-[2-[4-(4-fluorobenzoyl)phenoxy]acetyl]anilino)propanamide?
The IUPAC name of 3-(N-[2-[4-(4-fluorobenzoyl)phenoxy]acetyl]anilino)propanamide (CID 37324442) is 3-(N-[2-[4-(4-fluorobenzoyl)phenoxy]acetyl]anilino)propanamide.
What is the SMILES notation for 3-(N-[2-[4-(4-fluorobenzoyl)phenoxy]acetyl]anilino)propanamide?
The canonical SMILES for 3-(N-[2-[4-(4-fluorobenzoyl)phenoxy]acetyl]anilino)propanamide is NC(=O)CCN(C(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccccc1.
What is the InChIKey of 3-(N-[2-[4-(4-fluorobenzoyl)phenoxy]acetyl]anilino)propanamide?
The InChIKey is VDZXMCMUDRVUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O4/c25-19-10-6-17(7-11-19)24(30)18-8-12-21(13-9-18)31-16-23(29)27(15-14-22(26)28)20-4-2-1-3-5-20/h1-13H,14-16H2,(H2,26,28).
What are the key properties of 3-(N-[2-[4-(4-fluorobenzoyl)phenoxy]acetyl]anilino)propanamide?
3-(N-[2-[4-(4-fluorobenzoyl)phenoxy]acetyl]anilino)propanamide has a molecular weight of 420.44 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[2-[4-(4-fluorobenzoyl)phenoxy]acetyl]anilino)propanamide is sourced from PubChem (CID 37324442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).