N-benzyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide

C23H21FN2O4 — CID 4798347

IUPACN-benzyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H21FN2O4/c1-29-21-13-17(23(28)25-14-16-5-3-2-4-6-16)7-12-20(21)30-15-22(27)26-19-10-8-18(24)9-11-19/h2-13H,14-15H2,1H3,(H,25,28)(H,26,27)
InChIKeyCBFQUNPUZJWCAS-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.78
Rot. Bonds8

About N-benzyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide

N-benzyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide (PubChem CID 4798347) has the molecular formula C23H21FN2O4 and a molecular weight of 408.43 g/mol. Its IUPAC name is N-benzyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide.

Molecular Properties

Compound NameN-benzyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
PubChem CID4798347
Molecular FormulaC23H21FN2O4
Molecular Weight408.43 g/mol
Exact Mass408.15
IUPAC NameN-benzyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H21FN2O4/c1-29-21-13-17(23(28)25-14-16-5-3-2-4-6-16)7-12-20(21)30-15-22(27)26-19-10-8-18(24)9-11-19/h2-13H,14-15H2,1H3,(H,25,28)(H,26,27)
InChIKeyCBFQUNPUZJWCAS-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 4798518
N-benzyl-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 9114511
4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 8839619
2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 3917191
4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 16552543
N-[2-(benzylamino)-2-oxoethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 55676193
N-benzyl-N'-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]oxamide
CID 126163320
N-(3,4-dimethylphenyl)-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 8744099
(E)-N-benzyl-2-cyano-3-[4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]prop-2-enamide
CID 6512183
N-(2-benzamidoethyl)-4-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide
CID 121063227
(3-fluorophenyl)methyl 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 18229658
2-[4-[(2-chloroanilino)methyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 126381244

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide?
The IUPAC name of N-benzyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide (CID 4798347) is N-benzyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide.
What is the SMILES notation for N-benzyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide?
The canonical SMILES for N-benzyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide is COc1cc(C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-benzyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide?
The InChIKey is CBFQUNPUZJWCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4/c1-29-21-13-17(23(28)25-14-16-5-3-2-4-6-16)7-12-20(21)30-15-22(27)26-19-10-8-18(24)9-11-19/h2-13H,14-15H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-benzyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide?
N-benzyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide has a molecular weight of 408.43 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide is sourced from PubChem (CID 4798347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).