4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[(4-methylphenyl)methyl]benzamide

C24H23FN2O4 — CID 4798518

IUPAC4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[(4-methylphenyl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H23FN2O4/c1-16-3-5-17(6-4-16)14-26-24(29)18-7-12-21(22(13-18)30-2)31-15-23(28)27-20-10-8-19(25)9-11-20/h3-13H,14-15H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyXYOSFHRBXPRGGM-UHFFFAOYSA-N
MW422.46 g/mol
LogP4.09
Rot. Bonds8

About 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[(4-methylphenyl)methyl]benzamide

4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 4798518) has the molecular formula C24H23FN2O4 and a molecular weight of 422.46 g/mol. Its IUPAC name is 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[(4-methylphenyl)methyl]benzamide
PubChem CID4798518
Molecular FormulaC24H23FN2O4
Molecular Weight422.46 g/mol
Exact Mass422.16
IUPAC Name4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[(4-methylphenyl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H23FN2O4/c1-16-3-5-17(6-4-16)14-26-24(29)18-7-12-21(22(13-18)30-2)31-15-23(28)27-20-10-8-19(25)9-11-20/h3-13H,14-15H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyXYOSFHRBXPRGGM-UHFFFAOYSA-N
XLogP4.09
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 4798347
4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 16552543
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 7919164
4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 8839619
N-(3,4-dimethylphenyl)-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 8744099
1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71761549
1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047255
2-[5-bromo-4-[[(4-fluorophenyl)methylamino]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66535238
2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 3917191
N-benzyl-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 9114511
2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 2627667
2-[4-[(4-hydroxyanilino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66525784

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[(4-methylphenyl)methyl]benzamide (CID 4798518) is 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[(4-methylphenyl)methyl]benzamide is COc1cc(C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is XYOSFHRBXPRGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O4/c1-16-3-5-17(6-4-16)14-26-24(29)18-7-12-21(22(13-18)30-2)31-15-23(28)27-20-10-8-19(25)9-11-20/h3-13H,14-15H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[(4-methylphenyl)methyl]benzamide?
4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 422.46 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 4798518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).